SCHEMBL8764467

SCHEMBL8764467

CC(=O)NCc1ccc(-c2c(C(F)F)nn(-c3ccc(CNC(C)=O)cc3)c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.43
PTGS2 P35354 2/20 0.43
AOC3 Q16853 1/20 0.42
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
GRIA2 P42262 1/20 0.40
ELANE P08246 3/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8765120 0.96 EPHX2 (0.42) CCR1PTGS2AOC3ADAMTS4MMP13
SCHEMBL8765529 0.95 PTGS2 (0.41) CCR1PTGS2AOC3ADAMTS4MMP13
SCHEMBL8765404 0.91 PTGS2 (0.43) PTGS2
SCHEMBL8764774 0.88 PTGS2 (0.49) PTGS2
SCHEMBL8765150 0.87 PTGS2 (0.46) PTGS2
SCHEMBL8765507 0.85 PTGS2 (0.43) PTGS2
SCHEMBL8765147 0.85 AOC3 (0.48) PTGS2AOC3MAPT
SCHEMBL8765087 0.84 PTGS2 (0.43) PTGS2
SCHEMBL8765446 0.84 GRIA2 (0.53) CCR1PTGS2AOC3GRIA2
SCHEMBL8765491 0.82 PTGS2 (0.47) PTGS2AOC3TP53MAPT

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-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
US-5401765-A FOR TREATING ARTHRITIS, PAIN AND FEVER Searle, G. D. (US) 1995-03-28 US disclosed