SCHEMBL8306423

SCHEMBL8306423

CC(Cc1cc(CCC(=O)OC(C)(C)C)cc(Cc2cccnc2)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.47
CYP3A4 P08684 5/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
SYK P43405 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
SCHEMBL8308276 0.83 TBXAS1 (0.49) TBXAS1
SCHEMBL8309308 0.82 TBXAS1 (0.60) TBXAS1
SCHEMBL8701897 0.81 TBXAS1 (0.49) TBXAS1
SCHEMBL8308944 0.78 TBXAS1 (0.57) TBXAS1
SCHEMBL9382024 0.77 TBXAS1 (0.43) TBXAS1
SCHEMBL8307381 0.77 TBXAS1 (0.50) TBXAS1CYP3A4
SCHEMBL8307374 0.77 TBXAS1 (0.48) TBXAS1
SCHEMBL30336917 0.75 CYP3A4 (0.53) CYP3A4
SCHEMBL29059890 0.73 TBXAS1 (0.51) TBXAS1CYP3A4
SCHEMBL8307372 0.73 TBXAS1 (0.53) TBXAS1CYP3A4

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