SCHEMBL8310260

SCHEMBL8310260

CCOC(=O)CCc1cc(CCC(=O)O)cc(Cc2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.50
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
NAMPT P43490 1/20 0.43
FFAR1 O14842 1/20 0.43
CYP4Z1 Q86W10 1/20 0.42
MAPT P10636 1/20 0.40

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
SCHEMBL8308006 0.88 CYP4F2 (0.47) TBXAS1CYP4F2CYP4A11NAMPTCYP4Z1
SCHEMBL8707667 0.86 CYP4F2 (0.42) TBXAS1CYP4F2CYP4A11NAMPTCYP4Z1
SCHEMBL8307393 0.85 TBXAS1 (0.62) TBXAS1
SCHEMBL8707662 0.85 CYP4F2 (0.44) TBXAS1CYP4F2CYP4A11NAMPTCYP4Z1
SCHEMBL8592085 0.84 CYP4F2 (0.51) TBXAS1CYP4F2CYP4A11FFAR1CYP4Z1
SCHEMBL2412884 0.83 CYP4F2 (0.67) CYP4F2CYP4A11NAMPTCYP4Z1MAPT
SCHEMBL8306769 0.80 TBXAS1 (0.63) TBXAS1
SCHEMBL8307474 0.80 TBXAS1 (0.58) TBXAS1CYP4F2CYP4A11NAMPT
SCHEMBL8309155 0.80 CYP17A1 (0.47) TBXAS1CYP4F2CYP4A11NAMPTMAPT
SCHEMBL8304942 0.79 TBXAS1 (0.54) TBXAS1CYP4F2CYP4A11

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