SCHEMBL9601222

SCHEMBL9601222

O=Cc1cccc(/C(=N\OCCCCC(=O)O)c2cccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 18/20 0.69
TBXA2R P21731 18/20 0.69

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
SCHEMBL9601229 1.00 TBXAS1 (0.69) TBXAS1TBXA2R
SCHEMBL9601444 0.88 TBXA2R (0.76) TBXAS1TBXA2R
SCHEMBL9601449 0.88 TBXA2R (0.76) TBXAS1TBXA2R
SCHEMBL9602647 0.85 TBXA2R (0.81) TBXAS1TBXA2R
SCHEMBL9602658 0.85 TBXA2R (0.81) TBXAS1TBXA2R
SCHEMBL9601865 0.84 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL9601757 0.84 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL9602582 0.83 TBXA2R (0.85) TBXAS1TBXA2R
SCHEMBL9602592 0.83 TBXA2R (0.85) TBXAS1TBXA2R
SCHEMBL7392867 0.82 TBXAS1 (0.58) TBXAS1TBXA2R

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