SCHEMBL8631409

SCHEMBL8631409

COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nn(OC(C)=O)c2C(F)(F)F)cc1C

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.48
PTGS1 P23219 2/20 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
SCHEMBL8630327 0.90 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8630947 0.90 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7778134 0.87 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8629220 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8628654 0.85 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8629362 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7773259 0.83 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7780091 0.83 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL5694312 0.83 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7772900 0.82 PTGS2 (0.67) 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