SCHEMBL8708162

SCHEMBL8708162

CCCCCCCCCc1ccccc1OC(CCC)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.45

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 15)

geneUniProtsupporting neighboursconfidence
THRA known ✓ P10827 1/20 0.45
THRB known ✓ P10828 1/20 0.45
PPARG known ✓ P37231 1/20 0.41
CYSLTR1 known ✓ Q9Y271 2/20 0.39
ALOX5 known ✓ P09917 1/20 0.39
PTGS2 known ✓ P35354 1/20 0.39
PPARA Q07869 2/20 0.41
LIPG Q9Y5X9 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.39
FUT7 Q11130 1/20 0.37
NR1I2 O75469 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TSHR P16473 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL2234780 0.80 THRA (0.43) THRATHRBPPARAPPARGLIPG
Sulfuric Acid SCHEMBL1094888 0.79 THRA (0.52) THRATHRBPPARAPPARGLIPG
Sulfuric Acid SCHEMBL11480869 0.79 THRA (0.52) THRATHRBPPARAPPARGLIPG
Sulfuric Acid SCHEMBL10431395 0.79 THRA (0.52) THRATHRBPPARAPPARGLIPG
Sulfuric Acid SCHEMBL3979284 0.79 THRA (0.52) THRATHRBPPARAPPARGLIPG
Sulfuric Acid SCHEMBL6663311 0.79 THRA (0.52) THRATHRBPPARAPPARGLIPG
SCHEMBL7739699 0.78 THRA (0.42) THRATHRBPPARAPPARGLIPG
SCHEMBL2322031 0.78 FUT7 (0.52) THRATHRBPPARAPPARGLIPG
SCHEMBL1457335 0.78 FUT7 (0.52) THRATHRBPPARAPPARGLIPG
SCHEMBL11337984 0.78 THRA (0.50) THRATHRBPPARAPPARGLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503674-B1 Light-sensitive bistrihalomethyl-s-triazine compound and photopolymerizable composition containing same FUJI PHOTO FILM CO LTD (JP) 1998-06-24 EP disclosed
US-5484682-A FREE RADICAL INITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1996-01-16 US disclosed
US-5362874-A Storage stability, discoloration inhibition FUJI PHOTO FILM CO., LTD. (JP) 1994-11-08 US disclosed
EP-0503674-A1 Light-sensitive bistrihalomethyl-S-triazine compound and photopolymerizable composition containing same FUJI PHOTO FILM CO., LTD. (JP) 1992-09-16 EP 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