SCHEMBL11068577

SCHEMBL11068577

O=C(O)CCc1ccc(Cc2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 1.00
FFAR1 O14842 2/20 0.62
NAPRT Q6XQN6 1/20 0.57

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
Hydrochloric Acid SCHEMBL11064866 0.98 TBXAS1 (1.00) TBXAS1FFAR1
SCHEMBL11067276 0.91 TBXAS1 (0.83) TBXAS1
SCHEMBL11066764 0.89 TBXAS1 (0.81) TBXAS1
SCHEMBL29403620 0.88 TBXAS1 (0.78) TBXAS1FFAR1NAPRT
SCHEMBL333061 0.88 TBXAS1 (0.78) TBXAS1FFAR1NAPRT
SCHEMBL11067275 0.88 TBXAS1 (0.81) TBXAS1
SCHEMBL11058790 0.88 TBXAS1 (0.81) TBXAS1
SCHEMBL11068389 0.88 TBXAS1 (0.81) TBXAS1
SCHEMBL11062457 0.88 TBXAS1 (0.81) TBXAS1
SCHEMBL11063704 0.88 TBXAS1 (0.81) TBXAS1

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