SCHEMBL8632648

SCHEMBL8632648

CCCC(=O)On1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(OC)cc2)c1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.54
PTGS1 P23219 4/20 0.46

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
SCHEMBL8630452 0.91 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8633265 0.90 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8632515 0.90 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8631183 0.90 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8632596 0.89 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8628654 0.89 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8632893 0.88 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8634941 0.86 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8630947 0.86 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8633303 0.84 PTGS2 (0.54) 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