SCHEMBL8307374

SCHEMBL8307374

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

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.48
LTA4H P09960 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8306642 0.88 TBXAS1 (0.57) TBXAS1
SCHEMBL8309153 0.88 CYP3A4 (0.47) TBXAS1L3MBTL1
SCHEMBL8307381 0.85 TBXAS1 (0.50) TBXAS1LTA4H
SCHEMBL8308276 0.83 TBXAS1 (0.49) TBXAS1
SCHEMBL8701897 0.82 TBXAS1 (0.49) TBXAS1
SCHEMBL8309308 0.81 TBXAS1 (0.60) TBXAS1
SCHEMBL8707371 0.80 TBXAS1 (0.48) TBXAS1LTA4HL3MBTL1
SCHEMBL8707364 0.77 LTA4H (0.43) TBXAS1LTA4HL3MBTL1
SCHEMBL29059890 0.77 TBXAS1 (0.51) TBXAS1L3MBTL1
SCHEMBL8308944 0.77 TBXAS1 (0.57) 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