SCHEMBL10658490

SCHEMBL10658490

O=C(O)C=Cc1ccc(Cc2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 1.00
POLB P06746 1/20 0.54
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL10658479 1.00 TBXAS1 (1.00) TBXAS1POLBUSP2LMNACYP1A2
Hydrochloric Acid SCHEMBL11061313 0.99 TBXAS1 (1.00) TBXAS1POLB
Hydrochloric Acid SCHEMBL11061286 0.99 TBXAS1 (1.00) TBXAS1POLB
SCHEMBL11451368 0.88 TBXAS1 (0.79) TBXAS1POLBUSP2LMNACYP1A2
SCHEMBL459101 0.84 TBXAS1 (0.71) TBXAS1LMNACYP1A2
SCHEMBL2772402 0.84 TBXAS1 (0.71) TBXAS1LMNACYP1A2
SCHEMBL11062417 0.83 TBXAS1 (0.71) TBXAS1POLB
SCHEMBL11062411 0.83 TBXAS1 (0.71) TBXAS1POLB
SCHEMBL10456551 0.82 TBXAS1 (0.70) TBXAS1
SCHEMBL11068160 0.82 TBXAS1 (0.70) 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 5 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-4731370-A VASODILATOR, ANTICOAGULANT TOYAMA CHEMICAL CO., LTD. (JP) 1988-03-15 US disclosed
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