SCHEMBL7787188

SCHEMBL7787188

CCCCCCCCCCCCCCCCc1ccccc1C(C(C)(C)C)S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.51
CYSLTR1 Q9Y271 9/20 0.51
LIPG Q9Y5X9 1/20 0.46
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PPARA Q07869 2/20 0.41
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40

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
SCHEMBL7779162 1.00 CYSLTR2 (0.51) CYSLTR2CYSLTR1LIPGTHRATHRB
SCHEMBL28058764 0.84 ALOX5 (0.44) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL7779109 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGTHRATHRB
SCHEMBL28355511 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGTHRATHRB
SCHEMBL7784187 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1LIPGTHRATHRB
SCHEMBL7787180 0.81 CYSLTR2 (0.52) CYSLTR2CYSLTR1LIPGTHRATHRB
SCHEMBL7786021 0.80 CYSLTR2 (0.54) CYSLTR2CYSLTR1LIPGPPARABID
SCHEMBL6233869 0.80 CYSLTR2 (0.54) CYSLTR2CYSLTR1LIPGPPARABID
SCHEMBL7783840 0.80 CYSLTR2 (0.54) CYSLTR2CYSLTR1LIPGPPARABID
SCHEMBL7784183 0.80 CYSLTR2 (0.54) CYSLTR2CYSLTR1LIPGPPARABID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0803548-B1 Colored thermoplastic resin composition ORIENT CHEMICAL IND (JP) 2001-10-24 EP disclosed
US-5827911-A BLACK DYE IS OBTAINED BY REACTION OF NIGROSINE AND ATLEAST ONE ANIONIC SURFACTANT SELECTED FROM SULFURIC ACID ESTER OR SALTS, PHSOPHORIC ACID ESTER OR SALTS, SULFONIC ACID OR SALTS AND CARBOXYLIC ACID OR SALTS ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-27 US disclosed
EP-0803548-A2 Colored thermoplastic resin composition ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-29 EP disclosed