SCHEMBL7735102

SCHEMBL7735102

CCCCCCCCC(OCCc1ccccc1)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.43

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 9)

geneUniProtsupporting neighboursconfidence
ALOX5 known ✓ P09917 5/20 0.42
PPARG known ✓ P37231 5/20 0.42
PTGES O14684 5/20 0.42
FUT7 Q11130 1/20 0.41
SIGMAR1 Q99720 5/20 0.41
CTRC Q99895 1/20 0.40
NR1I2 O75469 1/20 0.40
CTSK P43235 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL29166141 0.80 RECQL (0.52) FUT7NR1I2
SCHEMBL29166615 0.80 RECQL (0.52) FUT7NR1I2
Potassium Ion SCHEMBL29166131 0.77 RECQL (0.47) NR1I2
Lithium Ion SCHEMBL29166844 0.77 RECQL (0.47) NR1I2
Potassium Ion SCHEMBL29166770 0.77 RECQL (0.47) NR1I2
Lithium Ion SCHEMBL29166441 0.77 RECQL (0.47) NR1I2
Sulfuric Acid SCHEMBL544764 0.75 KCNH2 (0.57) FUT7SIGMAR1CETP
Sulfuric Acid SCHEMBL10969631 0.75 KCNH2 (0.57) FUT7SIGMAR1CETP
Sulfuric Acid SCHEMBL17003947 0.75 KCNH2 (0.57) FUT7SIGMAR1CETP
Sulfuric Acid SCHEMBL17003825 0.75 KCNH2 (0.57) FUT7SIGMAR1CETP

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-6413706-B1 HIGH PRESSURE HOMOGENIZING FUJI PHOTO FILM CO., LTD. (JP) 2002-07-02 US disclosed