SCHEMBL8632191

SCHEMBL8632191

Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nn(Cc3ccccc3)c2OC=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.57
PTGS1 P23219 7/20 0.49
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8631714 0.92 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8627996 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8627686 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7780749 0.85 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL8631632 0.83 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8627891 0.83 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8631811 0.82 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7779319 0.80 PTGS2 (0.62) PTGS2PTGS1SMN1; SMN2
SCHEMBL7778202 0.80 PTGS2 (0.60) PTGS2PTGS1SMN1; SMN2
SCHEMBL7780663 0.80 PTGS2 (0.57) PTGS2PTGS1SMN1; SMN2

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