SCHEMBL6791041

SCHEMBL6791041

COc1ccc(C#Cc2cc(Cl)cc3c2OC(CC(F)(F)F)C(C(=O)O)=C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.59
PTGS1 P23219 15/20 0.59

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
SCHEMBL6092007 0.87 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL6093530 0.87 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL6791039 0.85 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5819729 0.83 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6791050 0.81 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7150439 0.80 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7143567 0.80 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5769183 0.77 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5646021 0.77 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL6092313 0.76 PTGS2 (0.88) 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-6806288-B1 CYCLOOXYGENASE-2 MEDIATED DISORDERS; REDUCES INFLAMMATION; FEWER SIDE EFFECTS G.D. SEARLE & CO. 2004-10-19 US disclosed