SCHEMBL13637193

SCHEMBL13637193

Cc1ccc(OCCCOc2ccc(CC(=O)O)cc2)c(-n2nc(C)c(C)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LTB4R Q15722 9/20 0.46
LTB4R2 Q9NPC1 7/20 0.46
POLB P06746 1/20 0.44
PPARD Q03181 4/20 0.43
PLA2G4B P0C869 1/20 0.43
PPARA Q07869 3/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
TBXAS1 P24557 1/20 0.41

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
SCHEMBL13407823 0.90 NPC1 (0.60) PPARGKDM4ENPC1ALDH1A1MAPT
SCHEMBL3589584 0.89 PPARG (0.47) PPARGLTB4RLTB4R2PPARDPLA2G4B
SCHEMBL13626083 0.86 KDM4E (0.50) PPARGKDM4ENPC1ALDH1A1MAPT
SCHEMBL3577071 0.80 LTB4R (0.50) PPARGKDM4ENPC1ALDH1A1MAPT
SCHEMBL13637204 0.80 LTB4R (0.47) PPARGKDM4ENPC1ALDH1A1MAPT
SCHEMBL3586956 0.78 KDM4E (0.44) PPARGKDM4ENPC1ALDH1A1MAPT
SCHEMBL3576162 0.78 LTB4R (0.48) PPARGKDM4ENPC1ALDH1A1MAPT
SCHEMBL3593830 0.77 LTB4R (0.43) PPARGLTB4RLTB4R2PPARDPLA2G4B
SCHEMBL3578660 0.77 PPARA (0.42) PPARGLTB4RLTB4R2PPARDPLA2G4B
SCHEMBL3574981 0.76 PPARG (0.46) PPARGKDM4ENPC1ALDH1A1MAPT

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