SCHEMBL8306731

SCHEMBL8306731

CCOC(=O)C=Cc1cc(C=CC(=O)OCC)cc(Cn2ccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.55
CYP3A4 P08684 3/20 0.55
CYP1A2 P05177 2/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP11B1 P15538 6/20 0.52
CYP11B2 P19099 2/20 0.52
CYP17A1 P05093 4/20 0.48
CYP21A2 P08686 3/20 0.48
PTGS2 P35354 1/20 0.45
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL8306732 1.00 TBXAS1 (0.55) TBXAS1CYP3A4CYP1A2USP2LMNA
SCHEMBL8306728 1.00 TBXAS1 (0.55) TBXAS1CYP3A4CYP1A2USP2LMNA
SCHEMBL11479922 0.89 TBXAS1 (0.71) TBXAS1CYP3A4CYP1A2USP2LMNA
SCHEMBL11479926 0.89 TBXAS1 (0.71) TBXAS1CYP3A4CYP1A2USP2LMNA
SCHEMBL10845148 0.88 TBXAS1 (0.69) TBXAS1CYP3A4CYP1A2USP2LMNA
SCHEMBL10845152 0.88 TBXAS1 (0.69) TBXAS1CYP3A4CYP1A2USP2LMNA
SCHEMBL24845652 0.84 TBXAS1 (0.47) TBXAS1CYP3A4CYP1A2USP2LMNA
SCHEMBL24844813 0.81 TBXAS1 (0.44) TBXAS1CYP3A4CYP1A2USP2LMNA
SCHEMBL10641289 0.80 TBXAS1 (0.49) TBXAS1CYP3A4CYP1A2USP2LMNA
SCHEMBL24845030 0.80 TBXAS1 (0.44) TBXAS1CYP3A4CYP1A2USP2LMNA

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