SCHEMBL8627686

SCHEMBL8627686

CCn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(C)cc2)c1OC=O

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.51
PTGS1 P23219 3/20 0.43

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
SCHEMBL8627984 0.90 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8758955 0.90 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8631811 0.87 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8632191 0.86 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8627996 0.84 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7780801 0.82 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8629740 0.81 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7780089 0.78 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8631714 0.78 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8631056 0.78 PTGS2 (0.43) 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