SCHEMBL9452162

SCHEMBL9452162

CCCCCCCCc1ccc(OCCC(C)S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.50

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 0.44
CA12 known ✓ O43570 1/20 0.44
CA1 known ✓ P00915 1/20 0.44
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
S1PR1 P21453 5/20 0.48
S1PR4 O95977 2/20 0.48
S1PR5 Q9H228 2/20 0.48
S1PR2 O95136 2/20 0.48
S1PR3 Q99500 2/20 0.48
FUT7 Q11130 1/20 0.46

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
SCHEMBL4459957 0.84 MEN1 (0.52) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL28437698 0.81 MEN1 (0.55) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9393646 0.80 MEN1 (0.53) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL34472572 0.80 MAPK1 (0.57) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL5147949 0.80 MEN1 (0.48) MEN1USP2ALDH1A1LMNACYP3A4
Potassium Ion SCHEMBL29760204 0.79 MEN1 (0.55) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9215261 0.78 ALDH1A1 (0.73) MEN1USP2ALDH1A1LMNACYP3A4
Sulfuric Acid SCHEMBL30716646 0.78 LMNA (0.54) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL340519 0.77 MAPK1 (0.64) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL27518731 0.77 MEN1 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250409-A Excellent antistatic properties FUJI PHOTO FILM CO., LTD. (JP) 1993-10-05 US disclosed