SCHEMBL8307372

SCHEMBL8307372

CCOC(=O)CCc1cc(CCNC(=O)OC(C)(C)C)cc(Cc2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.53
CYP3A4 P08684 5/20 0.52
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8309155 0.88 CYP17A1 (0.47) TBXAS1CYP3A4
SCHEMBL8308674 0.87 TBXAS1 (0.49) TBXAS1CYP3A4ALDH1A1
SCHEMBL8304942 0.85 TBXAS1 (0.54) TBXAS1
SCHEMBL8305362 0.83 TBXAS1 (0.76) TBXAS1
SCHEMBL8310008 0.83 TBXAS1 (0.52) TBXAS1
SCHEMBL8592476 0.82 HPGD (0.42)
SCHEMBL8309224 0.82 CYP3A4 (0.48) TBXAS1CYP3A4
SCHEMBL8309268 0.82 TBXAS1 (0.79) TBXAS1
SCHEMBL8307393 0.81 TBXAS1 (0.62) TBXAS1
SCHEMBL8310249 0.81 TBXAS1 (0.62) 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 5 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
EP-0579618-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES Pfizer Limited (GB) 1994-01-26 EP disclosed
WO-1992017451-A1 PYRIDINE- AND IMIDAZOLE-DERIVED AGENTS FOR CARDIOVASCULAR DISEASES PFIZER LIMITED (GB) 1992-10-15 WO disclosed