SCHEMBL9601444

SCHEMBL9601444

O=C(O)CCCCO/N=C(\c1cccnc1)c1cccc(C(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 18/20 0.76
TBXAS1 P24557 18/20 0.76

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
SCHEMBL9601449 1.00 TBXA2R (0.76) TBXA2RTBXAS1
SCHEMBL9602658 0.90 TBXA2R (0.81) TBXA2RTBXAS1
SCHEMBL9602647 0.90 TBXA2R (0.81) TBXA2RTBXAS1
SCHEMBL9601865 0.90 TBXAS1 (0.72) TBXA2RTBXAS1
SCHEMBL9601757 0.90 TBXAS1 (0.72) TBXA2RTBXAS1
SCHEMBL9602592 0.88 TBXA2R (0.85) TBXA2RTBXAS1
SCHEMBL9602582 0.88 TBXA2R (0.85) TBXA2RTBXAS1
SCHEMBL9601229 0.88 TBXAS1 (0.69) TBXA2RTBXAS1
SCHEMBL9601222 0.88 TBXAS1 (0.69) TBXA2RTBXAS1
SCHEMBL13955407 0.87 TBXA2R (0.71) 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 4 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