SCHEMBL8388459

SCHEMBL8388459

COc1c(Cl)cc(C2=C(c3ccc(S(=O)(=O)C(F)(F)F)cc3)CC3(CC3)C2)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.74
PTGS1 P23219 11/20 0.73

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
SCHEMBL8384811 0.87 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL8389169 0.87 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8389208 0.87 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8385281 0.86 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL213004 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8388406 0.85 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8383976 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8383821 0.84 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8386114 0.84 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8384808 0.82 PTGS2 (0.73) 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
EP-0743938-B1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-04-21 EP disclosed