SCHEMBL9393646

SCHEMBL9393646

CCCCCCCCCc1ccc(OCCCCS(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.53

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 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.48
CA12 known ✓ O43570 1/20 0.48
CA1 known ✓ P00915 1/20 0.48
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
S1PR1 P21453 2/20 0.53
FUT7 Q11130 1/20 0.49
TSHR P16473 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL28437698 0.96 MEN1 (0.55) MEN1USP2ALDH1A1LMNACYP3A4
4-Nonylphenol SCHEMBL11335761 0.94 NR5A1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL11511436 0.94 MEN1 (0.61) MEN1USP2ALDH1A1LMNACYP3A4
Potassium Ion SCHEMBL29760204 0.93 MEN1 (0.55) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL4459952 0.88 MEN1 (0.64) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL27518731 0.88 MEN1 (0.64) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL4579599 0.85 FUT7 (0.43) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL2686941 0.84 S1PR1 (0.67) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL13763215 0.83 ALDH1A1 (0.71) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9357898 0.83 ALDH1A1 (0.71) MEN1USP2ALDH1A1LMNACYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288059-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1994-02-23 EP disclosed
US-5153115-A A backing or subbing antistatic layer comprising an acrylic ester, amide or ketone having ether, amine and/or sulfide groups; high-speed, automatic development protection FUJI PHOTO FILM CO., LTD. (JP) 1992-10-06 US disclosed
US-5028516-A Method of forming an image comprising rapidly developing an infrared sensitized photographic material comprising surfactants FUJI PHOTO FILM CO., LTD. (JP) 1991-07-02 US disclosed
EP-0401826-A1 Silver halide photographic materials and method for manufacture thereof FUJI PHOTO FILM CO., LTD. (JP) 1990-12-12 EP disclosed
US-4943520-A SUBBING LAYER OF POLYOLS; ENDCAPPED POLYETHERS FUJI PHOTO FILM CO., LTD. (JP) 1990-07-24 US disclosed
US-4891307-A ANTISTATIC SURFACTANTS FUJI PHOTO FILM CO., LTD. (JP) 1990-01-02 US disclosed
EP-0288059-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-10-26 EP disclosed
US-4358532-A Photographic element FUJI PHOTO FILM CO., LTD. (JP) 1982-11-09 US disclosed
US-4336322-A DYE RELEASING REDOX COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1982-06-22 US disclosed
US-4198478-A AN ANIONIC SURFACTANT POLYMER OF SULFATE OR SULFONATE-MODIFIED ALKYLPHENOL-FORMALDEHYDE RESIN FUJI PHOTO FILM CO., LTD. (JP) 1980-04-15 US disclosed