SCHEMBL9826263

SCHEMBL9826263

COc1ccc(COC/C(=C\c2ccc(C(=O)O)cc2)Cn2ccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.61
CYP19A1 P11511 3/20 0.54
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL9826268 1.00 TBXAS1 (0.61) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9826272 1.00 TBXAS1 (0.61) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9826298 0.92 TBXAS1 (0.54) TBXAS1CYP19A1
SCHEMBL9826309 0.92 TBXAS1 (0.54) TBXAS1CYP19A1
SCHEMBL9826293 0.92 TBXAS1 (0.54) TBXAS1CYP19A1
SCHEMBL9826115 0.89 TBXAS1 (0.48) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9826107 0.89 TBXAS1 (0.48) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9826120 0.89 TBXAS1 (0.48) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9826181 0.89 TBXAS1 (0.53) TBXAS1CYP19A1
SCHEMBL9826648 0.89 TBXAS1 (0.64) TBXAS1CYP19A1

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
EP-0150892-B1 SUBSTITUTED ALKYLIDENE IMIDAZOLES G.D. Searle & Co. (US) 1991-04-24 EP disclosed
US-4837333-A SELECTIVE INHIBITOR OF THROMBOXANE SYNTHETASE ENZYME G. D. SEARLE & CO. (US) 1989-06-06 US disclosed
EP-0150892-A2 Substituted alkylidene imidazoles G.D. Searle & Co. (US) 1985-08-07 EP disclosed