SCHEMBL1244940

SCHEMBL1244940

CCCCCC(CC)C(C(=O)[O-])(C(CC)CCCCC)C(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.42

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 12)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.42
CA2 known ✓ P00918 4/20 0.41
FDPS known ✓ P14324 1/20 0.33
NFKB1 P19838 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
GPR84 Q9NQS5 4/20 0.36
NR1I2 O75469 1/20 0.31
FFAR1 O14842 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL7095718 0.99 CA2 (0.44) CA1CA2NFKB1CYP3A4TSHR
Potassium Ion SCHEMBL7100631 0.96 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL7102088 0.84 CA1 (0.47) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL7100292 0.83 CYP3A4 (0.46) CA1CA2NFKB1CYP3A4TSHR
Potassium Ion SCHEMBL7095225 0.81 CA1 (0.45) CA1CA2NFKB1CYP3A4TSHR
Potassium Ion SCHEMBL7955201 0.80 CYP3A4 (0.42) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL9838460 0.79 CA2 (0.41) CA1CA2NFKB1CYP3A4TSHR
SCHEMBL2045543 0.77 GPR84 (0.39) CA2TP53GPR84FDPSFFAR1
SCHEMBL7100584 0.76 CA2 (0.46) CA1CA2NFKB1CYP3A4TSHR
Ammonia Solution, Strong SCHEMBL7098903 0.74 GPR84 (0.40) CA2TP53GPR84FDPSFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4469603-A BLEND OF ANIONIC AND NONIONIC SURFACTANTS COSDEN TECHNOLOGY, INC. (US) 1984-09-04 US claimed
US-11771658-B2 Edds chelated nanoceria with catalase-like activity CERION, LLC (US) 2023-10-03 US disclosed
US-20220096392-A1 EDDS CHELATED NANOCERIA WITH CATALASE-LIKE ACTIVITY CERION, LLC (US) 2022-03-31 US disclosed
US-10857199-B2 Compounds and methods for increasing hair growth THE UNIVERSITY OF KANSAS (US) 2020-12-08 US disclosed
US-10751366-B2 Chelated nanoceria for the treatment of oxidative stress CERION LLC (US) 2020-08-25 US disclosed
US-10729717-B2 Nanoceria for neutralizing free radicals CERION ENTERPRISES LLC (US) 2020-08-04 US disclosed
US-10722474-B2 EDDS chelated nanoceria with catalase-like activity CERION, LLC (US) 2020-07-28 US disclosed
US-20200101132-A1 COMPOUNDS AND METHODS FOR INCREASING HAIR GROWTH THE UNIVERSITY OF KANSAS (US) 2020-04-02 US disclosed
EP-3247401-B1 EDDS CHELATED NANOCERIA WITH CATALASE-LIKE ACTIVITY CERION LLC (US) 2019-09-18 EP disclosed
US-10350263-B2 Compounds and methods for increasing hair growth THE UNIVERSITY OF KANSAS (US) 2019-07-16 US disclosed
EP-0919865-B1 Silver halide color photographic light-sensitive material containing a novel yellow coupler KONISHIROKU PHOTO IND (JP) 2002-02-06 EP disclosed
EP-1168066-A2 Silver salt photothermographic dry imaging material KONICA CORPORATION (JP) 2002-01-02 EP disclosed
US-6197493-B1 CLOR-FORMING EFFICIENCY, COLOR REPRODUCIBILITY AND IMAGE STORAGE ABILITY KONICA CORPORATION (JP) 2001-03-06 US disclosed
US-6140032-A YELLOW COUPLERS ON SUPPORTS KONICA CORPORATION (JP) 2000-10-31 US disclosed
US-6004739-A YELLOW DYE-FORMING COUPLER KONICA CORPORATION (JP) 1999-12-21 US disclosed
EP-0890876-A1 Method for processing silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1999-01-13 EP disclosed
EP-0844526-A2 Silver halide color photographic light-sensitive material KONICA CORPORATION (JP) 1998-05-27 EP disclosed
US-5286703-A Having color developing layer and ultraviolet absorbing layer with specific light transmittance; lightfastness FUJI PHOTO FILM CO., LTD. (JP) 1994-02-15 US disclosed
US-4552670-A CONTROLLING VISCOSITY OF DRILLING MUDS DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1985-11-12 US disclosed
US-4325835-A Catalyst component IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-20 US disclosed