SCHEMBL6494445

SCHEMBL6494445

CCOC(=O)CCc1ccc(OC)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
DRD2 P14416 1/20 0.46
ALOX5 P09917 2/20 0.46
APP P05067 1/20 0.44
CFD P00746 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL28639229 0.89 PPARG (0.63) CYP4F2CYP4A11PPARAPPARGDRD2
SCHEMBL5355607 0.87 MRGPRX4 (0.51) PPARAPPARGMRGPRX4ALOX5CFD
SCHEMBL491276 0.85 CYP4F2 (0.59) CYP4F2CYP4A11DRD2LMNASMN1; SMN2
SCHEMBL4450867 0.84 CYP4F2 (0.55) CYP4F2CYP4A11DRD2ALOX5LMNA
SCHEMBL8984891 0.84 CYP4F2 (0.58) CYP4F2CYP4A11DRD2ALOX5APP
SCHEMBL2632416 0.84 CYP4F2 (0.58) CYP4F2CYP4A11DRD2ALOX5LMNA
SCHEMBL4458645 0.83 CYP3A4 (0.50) CYP4F2CYP4A11PPARAPPARGALOX5
SCHEMBL491225 0.83 CYP19A1 (0.60) CYP4F2CYP4A11ALOX5APPLMNA
SCHEMBL2432179 0.83 CYP4F2 (0.56) CYP4F2CYP4A11DRD2ALOX5LMNA
SCHEMBL24515574 0.82 MTNR1A (0.48) PPARAPPARGMRGPRX4ALOX5APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed