SCHEMBL10496205

SCHEMBL10496205

Cc1cc(C)c(C=CC=O)c(-c2ccc(F)c(C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.43
PTGS1 P23219 2/20 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
SCHEMBL10496199 1.00 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL5171500 0.85 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL14509872 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL9441772 0.82 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL10858190 0.82 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL10858196 0.82 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL9441769 0.82 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL9441722 0.81 ALDH1A1 (0.42) PTGS2PTGS1
SCHEMBL9441751 0.80 PTGS2 (0.41) PTGS2
SCHEMBL9441746 0.80 PTGS2 (0.41) PTGS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0068038-A1 (+)-(4R,6S)-(E)-6-(2-(4'-fluoro-3,3',5-trimethyl-(1,1'-biphenyl)-2-yl)ethenyl)-3,4,5,6-tetrahydro-4-hydroxy-2H-pyran-2-one, a process for preparing and a pharmaceutical composition containing the same MERCK & CO. INC. (US) 1983-01-05 EP claimed
US-RE33033-E REACTING AND ALDEHYDE WITH ENOLATE OF AN ALKYLACETATE; HYDROLYSIS MERCK & CO., INC. (US) 1989-08-22 US disclosed
EP-0207456-A2 Process for the preparation of HMG-CoA reductase inhibitors intermediates MERCK & CO. INC. (US) 1987-01-07 EP disclosed
US-4620025-A NICKEL COMPLEX CATALYSTS MERCK & CO., INC. (US) 1986-10-28 US disclosed
US-4611081-A Process for the preparation of HMG-CoA reductase inhibitors intermediates MERCK & CO., INC. (US) 1986-09-09 US disclosed
US-4582914-A STEREOSPECIFIC PREPARATION OF 3-HYDROXY-3-METHYLGLUTARYLCOENZYME A, A COMPACTIN AND MEVINOLIN DERIVATIVE MERCK & CO., INC. (US) 1986-04-15 US disclosed
EP-0068038-B1 (+)-(4R,6S)-(E)-6-(2-(4'-FLUORO-3,3',5-TRIMETHYL-(1,1'-BIPHENYL)-2-YL)ETHENYL)-3,4,5,6-TETRAHYDRO-4-HYDROXY-2H-PYRAN-2-ONE, A PROCESS FOR PREPARING AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME MERCK & CO. INC. (US) 1985-09-25 EP disclosed