SCHEMBL11063704

SCHEMBL11063704

O=C(O)CCCCCCCCCc1ccc(Cc2cccnc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.81
MAPT P10636 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61

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
SCHEMBL11068389 1.00 TBXAS1 (0.81) TBXAS1MAPTRXFP1
SCHEMBL11062457 1.00 TBXAS1 (0.81) TBXAS1MAPTRXFP1
SCHEMBL11067275 1.00 TBXAS1 (0.81) TBXAS1MAPTRXFP1
SCHEMBL11058790 1.00 TBXAS1 (0.81) TBXAS1MAPTRXFP1
SCHEMBL11066764 0.99 TBXAS1 (0.81) TBXAS1MAPTRXFP1
SCHEMBL11067276 0.94 TBXAS1 (0.83) TBXAS1
SCHEMBL1009589 0.90 TBXAS1 (1.00) TBXAS1MAPTRXFP1
SCHEMBL607494 0.90 TBXAS1 (1.00) TBXAS1MAPTRXFP1
SCHEMBL7443753 0.90 TBXAS1 (1.00) TBXAS1MAPTRXFP1
SCHEMBL16116694 0.90 TBXAS1 (1.00) TBXAS1MAPTRXFP1

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
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