SCHEMBL8304782

SCHEMBL8304782

CCOC(=O)CCc1cc(CCC(=O)O)cc(C(CO)c2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 17/20 0.46
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
FFAR1 O14842 1/20 0.40
CYP4Z1 Q86W10 1/20 0.38

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
SCHEMBL8307943 0.97 CYP4F2 (0.45) TBXAS1CYP4F2CYP4A11CYP4Z1
SCHEMBL8308679 0.92 CYP4F2 (0.41) TBXAS1CYP4F2CYP4A11CYP4Z1
SCHEMBL8310036 0.84 LMNA (0.43) TBXAS1
SCHEMBL8304256 0.82 SMN1; SMN2 (0.51) TBXAS1
SCHEMBL8308755 0.81 TBXAS1 (0.67) TBXAS1
SCHEMBL8307393 0.81 TBXAS1 (0.62) TBXAS1
SCHEMBL8309682 0.79 TBXAS1 (0.60) TBXAS1CYP4F2CYP4A11FFAR1
SCHEMBL8702346 0.76 TBXAS1 (0.49) TBXAS1
SCHEMBL8304942 0.76 TBXAS1 (0.54) TBXAS1CYP4F2CYP4A11
SCHEMBL11083416 0.75 CYP4F2 (0.51) TBXAS1CYP4F2CYP4A11CYP4Z1

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 2 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-5457118-A Pyridine derived agents for cardiovascular diseases PFIZER INC. (US) 1995-10-10 US disclosed