SCHEMBL7676523

SCHEMBL7676523

Cc1c(COc2ccc(OCc3ccccc3)cc2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.79
PTGS1 P23219 1/20 0.58

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
SCHEMBL6711246 0.89 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7682625 0.88 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL7676356 0.88 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL7210642 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7680836 0.88 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL6710559 0.86 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7215484 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7210588 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5313386 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3824218 0.78 PTGS2 (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395724-B1 COMPLEXES; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETICS ADVANCED MEDICINE, INC. 2002-05-28 US disclosed
EP-1085845-A2 MULTIBINDING INHIBITORS OF CYCLOOXYGENASE-2 Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
WO-1999063939-A2 MULTIBINDING INHIBITORS OF CYCLOOXYGENASE-2 ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed