SCHEMBL8306642

SCHEMBL8306642

COC(=O)CC(C)c1cc(CCC(=O)O)cc(Cc2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.57

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
SCHEMBL8307374 0.88 TBXAS1 (0.48) TBXAS1
SCHEMBL8707371 0.85 TBXAS1 (0.48) TBXAS1
SCHEMBL8306646 0.84 TBXAS1 (0.64) TBXAS1
SCHEMBL8309153 0.82 CYP3A4 (0.47) TBXAS1
SCHEMBL8308559 0.81 TBXAS1 (0.58) TBXAS1
SCHEMBL8707364 0.80 LTA4H (0.43) TBXAS1
SCHEMBL8308007 0.80 TBXAS1 (0.70) TBXAS1
SCHEMBL8707366 0.79 TBXAS1 (0.48) TBXAS1
SCHEMBL8307393 0.78 TBXAS1 (0.62) TBXAS1
SCHEMBL8304970 0.78 TBXAS1 (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579618-B1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1999-10-13 EP disclosed
US-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US disclosed
US-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed