SCHEMBL8629387

SCHEMBL8629387

CC(=O)On1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2Cl)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.43
PTGS1 P23219 2/20 0.40
RORC P51449 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
SCHEMBL8632533 0.90 PTGS2 (0.46) PTGS2PTGS1RORC
SCHEMBL8629103 0.88 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7778111 0.86 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8634624 0.82 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7772855 0.82 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7779756 0.82 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8629845 0.81 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL7779562 0.81 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5694312 0.81 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8629362 0.81 PTGS2 (0.55) PTGS2PTGS1

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed