SCHEMBL8705235

SCHEMBL8705235

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TAAR1 Q96RJ0 4/20 0.36
MAPT P10636 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
TBXAS1 P24557 2/20 0.36
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
ALOX5 P09917 1/20 0.33
HTR1A P08908 1/20 0.33
PTGS2 P35354 1/20 0.33
SYK P43405 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP4Z1 Q86W10 1/20 0.32

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
SCHEMBL8304739 0.87 TBXAS1 (0.46) CYP4F2CYP4A11TAAR1MAPTPDE3B
SCHEMBL8308082 0.83 CYP4F2 (0.41) CYP4F2CYP4A11TAAR1MAPTPDE3B
SCHEMBL8707667 0.81 CYP4F2 (0.42) CYP4F2CYP4A11MAPTPDE3BPDE3A
SCHEMBL11487887 0.80 TAAR1 (0.48) CYP4F2CYP4A11TAAR1MAPTPDE3B
SCHEMBL11474938 0.79 CYP4F2 (0.56) CYP4F2CYP4A11TAAR1MAPTPDE3B
SCHEMBL8702346 0.78 TBXAS1 (0.49) TBXAS1
SCHEMBL3591993 0.76 MAPT (0.52) CYP4F2CYP4A11TAAR1MAPTPDE3B
SCHEMBL8304916 0.76 PDE3B (0.36) CYP4F2CYP4A11MAPTPDE3BPDE3A
SCHEMBL8705232 0.74 TBXAS1 (0.46) TBXAS1ALDH1A1
SCHEMBL11475112 0.73 ALOX5 (0.51) CYP4F2CYP4A11TAAR1MAPTALOX5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US disclosed