SCHEMBL8765307

SCHEMBL8765307

CC(C)(C)c1ccc(-n2nc(C(F)F)c(-c3ccccc3)c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
RARA P10276 2/20 0.43
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
RXRA P19793 2/20 0.43
ALOX5 P09917 2/20 0.43
PTGS1 P23219 4/20 0.41
PDPK1 O15530 2/20 0.41

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
SCHEMBL8764491 0.97 PTGS2 (0.43) PTGS2RARARARBRARGRXRA
SCHEMBL8765987 0.96 PDPK1 (0.43) PTGS2RARARARBRARGRXRA
SCHEMBL8765727 0.91 PDPK1 (0.52) PTGS2PTGS1PDPK1
SCHEMBL8672399 0.90 PTGS2 (0.51) PTGS2ALOX5PTGS1
SCHEMBL8765778 0.88 ALOX5 (0.48) PTGS2ALOX5PTGS1
SCHEMBL8765507 0.88 PTGS2 (0.43) PTGS2ALOX5PTGS1
SCHEMBL8766296 0.88 PDPK1 (0.50) PTGS2PTGS1PDPK1
SCHEMBL8765226 0.87 PTGS2 (0.45) PTGS2ALOX5PTGS1
SCHEMBL8765172 0.87 PTGS2 (0.46) PTGS2ALOX5PTGS1
Dimethylamine SCHEMBL8765691 0.87 PTGS2 (0.48) PTGS2ALOX5PTGS1

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-0731794-B1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1997-08-06 EP disclosed
US-5639777-A 1,4,5-triphenyl pyrazolyl compounds for the treatment of inflammation and inflammation-related disorders G.D. SEARLE & CO. (US) 1997-06-17 US disclosed
EP-0731794-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1996-09-18 EP disclosed
WO-1995015317-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 1995-06-08 WO disclosed
US-5401765-A FOR TREATING ARTHRITIS, PAIN AND FEVER Searle, G. D. (US) 1995-03-28 US disclosed