SCHEMBL13637252

SCHEMBL13637252

Nc1ccc(OCCCOc2ccc3c(cnn3CC(=O)O)c2)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PPARG P37231 6/20 0.38
PPARA Q07869 5/20 0.38
PPARD Q03181 4/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL13626046 0.90 ALDH1A1 (0.49) CYP4F2CYP4A11KDM4ENPC1ALDH1A1
SCHEMBL3584874 0.90 KMO (0.46) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL13625916 0.87 KMO (0.47) CYP4F2CYP4A11PPARGPTGDR2KDM4E
SCHEMBL13637151 0.77 PPARG (0.46) PPARGPPARAPPARDPTGDR2KDM4E
SCHEMBL24648568 0.77 CYP4F2 (0.48) CYP4F2CYP4A11PPARGPPARAPPARD
SCHEMBL13626049 0.74 PPARG (0.55) PPARGPPARAPPARDKDM4ENPC1
SCHEMBL3579373 0.74 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL3584162 0.71 PPARD (0.52) PPARGPPARAPPARDKDM4EALDH1A1
SCHEMBL13626055 0.71 PPARG (0.52) PPARGPPARAPPARDKDM4ENPC1
SCHEMBL24648598 0.70 POLB (0.47) CYP4F2CYP4A11PPARGPPARAPPARD

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-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed