SCHEMBL8304739

SCHEMBL8304739

CCOC(=O)CCc1cc(CCC(=O)O)cc(Cc2ncc[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.46
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
MAPT P10636 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
CYP4Z1 Q86W10 1/20 0.38
HTR1A P08908 1/20 0.37
ALOX5 P09917 1/20 0.37
DPP4 P27487 1/20 0.36
SYK P43405 1/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8308082 0.89 CYP4F2 (0.41) TBXAS1CYP4F2CYP4A11TAAR1MAPT
SCHEMBL8705235 0.87 CYP4F2 (0.37) TBXAS1CYP4F2CYP4A11TAAR1MAPT
SCHEMBL11487887 0.85 TAAR1 (0.48) CYP4F2CYP4A11TAAR1MAPTPDE3B
SCHEMBL11474938 0.85 CYP4F2 (0.56) TBXAS1CYP4F2CYP4A11TAAR1MAPT
SCHEMBL3591993 0.81 MAPT (0.52) TBXAS1CYP4F2CYP4A11TAAR1MAPT
SCHEMBL8304916 0.81 PDE3B (0.36) CYP4F2CYP4A11MAPTPDE3BPDE3A
SCHEMBL11475112 0.79 ALOX5 (0.51) CYP4F2CYP4A11TAAR1MAPTCYP4Z1
SCHEMBL8310260 0.79 TBXAS1 (0.50) TBXAS1CYP4F2CYP4A11MAPTCYP4Z1
SCHEMBL11477432 0.78 ALOX5 (0.52) TBXAS1CYP4F2CYP4A11TAAR1MAPT
SCHEMBL11477606 0.77 TAAR1 (0.60) TBXAS1TAAR1

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