SCHEMBL9602956

SCHEMBL9602956

COc1ccc(C(=NOCCCCC(=O)O)c2cccnc2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 18/20 0.56
TBXAS1 P24557 11/20 0.56

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
SCHEMBL9602950 1.00 TBXA2R (0.56) TBXA2RTBXAS1
SCHEMBL9602455 0.90 TBXAS1 (0.51) TBXA2RTBXAS1
SCHEMBL9602459 0.90 TBXAS1 (0.51) TBXA2RTBXAS1
SCHEMBL9601778 0.89 TBXAS1 (0.70) TBXA2RTBXAS1
SCHEMBL9601773 0.89 TBXAS1 (0.70) TBXA2RTBXAS1
SCHEMBL9601603 0.83 TBXAS1 (0.64) TBXA2RTBXAS1
SCHEMBL9601617 0.83 TBXAS1 (0.64) TBXA2RTBXAS1
SCHEMBL9602658 0.81 TBXA2R (0.81) TBXA2RTBXAS1
SCHEMBL9602647 0.81 TBXA2R (0.81) TBXA2RTBXAS1
SCHEMBL9601906 0.81 TBXA2R (0.62) TBXA2RTBXAS1

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
EP-0221601-B1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-10 EP disclosed
US-5180832-A Chemical intermediate for thromboxane A2 inhibitor JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-19 US disclosed
US-4963573-A INHIBIT BIOSYNTHESIS OF THROMBOXANE A2 JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-16 US disclosed
US-4746671-A THROMBOXANE SYNTHETASE INHIBITION JANSSEN PHARMACEUTICA N.V. (BE) 1988-05-24 US disclosed
EP-0221601-A1 [[[(3-Pyridinyl)methylen]amino]oxy]alkanoic acids and esters JANSSEN PHARMACEUTICA N.V. (BE) 1987-05-13 EP disclosed