SCHEMBL13637151

SCHEMBL13637151

Nc1ccc(OCCCOc2ccc(OCC(=O)O)c(Cl)c2)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
PPARD Q03181 4/20 0.46
PPARA Q07869 6/20 0.45
KDM4E B2RXH2 3/20 0.44
FFAR1 O14842 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
TDP1 Q9NUW8 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL13441633 0.89 PPARG (0.46) PPARGPPARDPPARAKDM4EFFAR1
SCHEMBL3587102 0.87 TDP1 (0.49) PPARGPPARDPPARAKDM4EFFAR1
SCHEMBL13637150 0.86 HPGD (0.44) PPARGPPARDPPARAKDM4EFFAR1
SCHEMBL13637152 0.82 PPARG (0.45) PPARGPPARDPPARAKDM4EFFAR1
SCHEMBL3593824 0.82 PPARG (0.51) PPARGPPARDPPARAKDM4EFFAR1
SCHEMBL13440569 0.78 KDM4E (0.51) PPARGPPARDPPARAKDM4EPOLB
SCHEMBL13637196 0.78 KDM4E (0.53) PPARGPPARDPPARAKDM4EPOLB
SCHEMBL13637253 0.78 PPARD (0.59) PPARGPPARDPPARAKDM4EFFAR1
SCHEMBL13637252 0.77 CYP4F2 (0.40) PPARGPPARDPPARAKDM4EPOLB
SCHEMBL13441819 0.77 KDM4E (0.50) PPARGPPARDPPARAKDM4EFFAR1

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