SCHEMBL11068422

SCHEMBL11068422

CC(=Cc1cccc(Cc2ccncc2)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.59
AKR1C3 P42330 1/20 0.50
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL11068416 1.00 TBXAS1 (0.59) TBXAS1AKR1C3CYP17A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL11065556 0.99 TBXAS1 (0.61) TBXAS1AKR1C3CYP17A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL11065552 0.99 TBXAS1 (0.61) TBXAS1AKR1C3CYP17A1CYP11B1CYP11B2
SCHEMBL11063685 0.86 TBXAS1 (0.74) TBXAS1
SCHEMBL11063681 0.86 TBXAS1 (0.74) TBXAS1
Hydrochloric Acid SCHEMBL11061685 0.85 TBXAS1 (0.77) TBXAS1
Hydrochloric Acid SCHEMBL11061680 0.85 TBXAS1 (0.77) TBXAS1
SCHEMBL11061416 0.84 TBXAS1 (0.70) TBXAS1AKR1C3CYP17A1CYP11B1CYP11B2
SCHEMBL11061432 0.84 TBXAS1 (0.70) TBXAS1AKR1C3CYP17A1CYP11B1CYP11B2
SCHEMBL11067879 0.83 TBXAS1 (0.43) TBXAS1CYP17A1CYP11B1CYP11B2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4271170-A THROMBOXANE SYNTHETASE ENZYME INHIBITOR USEFUL IN TREATING INFLAMMATION, HYPERTENSION, THROMBUS, CEREBRAL APOPLEXY, ASTHMA, AND CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD., (JP) 1981-06-02 US claimed
US-4427682-A ANTICOAGULANTS, ANTIINFLAMMATORY, HYPOTENSIVE, OR ANTIALLERGEN AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US disclosed
US-4317828-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 US disclosed
US-4271170-A THROMBOXANE SYNTHETASE ENZYME INHIBITOR USEFUL IN TREATING INFLAMMATION, HYPERTENSION, THROMBUS, CEREBRAL APOPLEXY, ASTHMA, AND CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD., (JP) 1981-06-02 US disclosed