SCHEMBL8309682

SCHEMBL8309682

CCOC(=O)CCc1cc(CCC(=O)O)cc(Oc2cccnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.60
FFAR1 O14842 1/20 0.43
P2RX3 P56373 2/20 0.43
FFAR4 Q5NUL3 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL8307041 0.90 TBXAS1 (0.49) TBXAS1P2RX3CYP4F2CYP4A11
SCHEMBL8305260 0.88 TBXAS1 (0.48) TBXAS1P2RX3CYP4F2CYP4A11
SCHEMBL8707244 0.87 TBXAS1 (0.46) TBXAS1P2RX3CYP4F2CYP4A11
SCHEMBL8707246 0.85 TBXAS1 (0.46) TBXAS1FFAR1P2RX3CYP4F2CYP4A11
SCHEMBL10663180 0.84 CYP4F2 (0.54) TBXAS1FFAR1P2RX3CYP4F2CYP4A11
SCHEMBL8307393 0.84 TBXAS1 (0.62) TBXAS1
SCHEMBL8309271 0.83 TBXAS1 (0.79) TBXAS1
SCHEMBL8308674 0.82 TBXAS1 (0.49) TBXAS1P2RX3
SCHEMBL8306671 0.79 TBXAS1 (0.79) TBXAS1
SCHEMBL8304782 0.79 TBXAS1 (0.46) TBXAS1FFAR1CYP4F2CYP4A11

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