SCHEMBL10657236

SCHEMBL10657236

CCOC(=O)COc1ccc(Cn2ccnc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.74
CYP19A1 P11511 6/20 0.62
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
PLA2G4A P47712 1/20 0.53

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
Fumaric Acid SCHEMBL10945469 0.93 TBXAS1 (0.65) TBXAS1CYP19A1
Fumaric Acid SCHEMBL10945447 0.93 TBXAS1 (0.65) TBXAS1CYP19A1
SCHEMBL11354168 0.87 TBXAS1 (0.74) TBXAS1CYP19A1CYP11B1CYP11B2PLA2G4A
SCHEMBL10851510 0.87 TBXAS1 (0.67) TBXAS1CYP19A1
SCHEMBL10948037 0.86 TBXAS1 (0.61) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL10748096 0.85 TBXAS1 (1.00) TBXAS1
SCHEMBL29239321 0.84 TBXAS1 (0.70) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL10852178 0.83 TBXAS1 (1.00) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11706257 0.82 KDM4E (0.68) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11474932 0.82 TBXAS1 (0.67) TBXAS1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4731370-A VASODILATOR, ANTICOAGULANT TOYAMA CHEMICAL CO., LTD. (JP) 1988-03-15 US disclosed
US-4713387-A Vasodilating and platelet aggregation inhibiting 1,4 dihydropyridines with an imidazolyl or pyridyl containing ester TOYAMA CHEMICAL CO., LTD. (JP) 1987-12-15 US disclosed
US-4632934-A THROMBOXANE SYNTHETASE INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1986-12-30 US disclosed
US-4555516-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1985-11-26 US disclosed
US-4461905-A THROMBOXANE SYNTHETASE INHIBITOR INTERMEDIATE ONO PHARMACEUTICAL CO., LTD. (JP) 1984-07-24 US disclosed
US-4448781-A CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1984-05-15 US disclosed