SCHEMBL891108

SCHEMBL891108

CCCCCCCCCCCC(O)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.47
CA1 known ✓ P00915 1/20 0.44
FDPS known ✓ P14324 1/20 0.41
GPR84 Q9NQS5 8/20 0.47
FFAR1 O14842 2/20 0.45
NFKB1 P19838 1/20 0.44
RECQL P46063 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
EPHX2 P34913 1/20 0.44
TP53 P04637 1/20 0.44
BLM P54132 1/20 0.44
NR1I2 O75469 1/20 0.44
FFAR4 Q5NUL3 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2384966 1.00 GPR84 (0.47) GPR84CA2FFAR1NFKB1RECQL
SCHEMBL28088262 1.00 GPR84 (0.47) GPR84CA2FFAR1NFKB1RECQL
SCHEMBL2384323 1.00 GPR84 (0.47) GPR84CA2FFAR1NFKB1RECQL
SCHEMBL2384446 1.00 GPR84 (0.47) GPR84CA2FFAR1NFKB1RECQL
SCHEMBL621494 1.00 GPR84 (0.47) GPR84CA2FFAR1NFKB1RECQL
SCHEMBL2383941 1.00 GPR84 (0.47) GPR84CA2FFAR1NFKB1RECQL
Lithium Ion SCHEMBL10589843 0.96 GPR84 (0.45) GPR84CA2FFAR1TP53CA1
SCHEMBL8385329 0.96 GPR84 (0.45) GPR84CA2FFAR1TP53CA1
SCHEMBL11431285 0.89 FFAR1 (0.50) FFAR1RECQLEPHX2BLMFFAR4
SCHEMBL3022383 0.85 FABP3 (0.50) FFAR1NFKB1HPGDTSHRFFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457863-B2 Composition of an organic foaming additive for high temperature and high salinity INSTITUTO MEXICANO DEL PETRÓLEO (MX) 2019-10-29 US claimed
CN-102524265-B Nano-scale dispersion system suspending agent for paclobutrazol, and preparation method thereof UNIV LIAONING NORMAL 2014-04-23 CN claimed
CN-102524265-A Nano-scale dispersion system suspending agent for paclobutrazol, and preparation method thereof UNIV LIAONING NORMAL 2012-07-04 CN claimed
CN-1111161-C Diacetal composition, process for preparation of same, nucleating agent for polyolefins contg. same, polyolefin resin compositions, and moldings NEW JAPAN CHEM CO LTD (JP) 2003-06-11 CN claimed
CN-1241190-A Diacetal composition, process for producing the same, polyolefin nucleating agent containing said composition, polyolefin resin composition and molded article NEW JAPAN CHEM CO LTD (JP) 2000-01-12 CN claimed
JP-60019774-A None JP disclosed
EP-3728487-B1 METHOD OF REMOVING POLYMERIC MATERIAL COMPRISING HETEROATOMS FROM A SURFACE USING COMPOSITIONS INCLUDING A KETO-ESTER COMPOUND FOURTH PRINCIPLE LLC (US) 2025-07-02 EP disclosed
US-20230049362-A1 NATIVE AND POROUS STARCH AS WHITE PIGMENT IN TOOTHPASTE ROQUETTE FRERES (FR) 2023-02-16 US disclosed
EP-4090312-A1 NATIVE AND POROUS STARCH AS WHITE PIGMENT IN TOOTHPASTE ROQUETTE FRERES (FR) 2022-11-23 EP disclosed
CN-115003277-A Natural and porous starch as white pigment in toothpaste 罗盖特公司 2022-09-02 CN disclosed
US-11370996-B2 Compositions including keto-ester compounds and methods of using the same FOURTH PRINCIPLE, LLC (US) 2022-06-28 US disclosed
WO-2021144245-A1 NATIVE AND POROUS STARCH AS WHITE PIGMENT IN TOOTHPASTE ROQUETTE FRERES (FR) 2021-07-22 WO disclosed
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
EP-0755927-A1 DIMETHYLFURANCARBOXANILIDE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1997-01-29 EP disclosed
US-5574064-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-12 US disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed
EP-0339498-A2 Liquid detergent composition AJINOMOTO CO., INC. (JP) 1989-11-02 EP disclosed
JP-S6019774-A GRANULATION OF COMPOSITION CONTAINING CHLORINATED ISOCYANURIC ACID NISSAN CHEM IND LTD 1985-01-31 JP disclosed
US-4197347-A High density magnetic recording media FUJI PHOTO FILM CO., LTD. (JP) 1980-04-08 US disclosed
US-4063000-A Process for production of ferromagnetic powder FUJI PHOTO FILM CO., LTD. (JA) 1977-12-13 US disclosed