SCHEMBL13637208

SCHEMBL13637208

CCc1ccc(OCCCOc2ccc(CC(=O)O)cc2)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.44
LTB4R2 Q9NPC1 3/20 0.42
PPARG P37231 6/20 0.40
PLA2G4B P0C869 1/20 0.40
PPARD Q03181 5/20 0.39
PPARA Q07869 4/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13637204 0.89 LTB4R (0.47) LTB4RLTB4R2PPARGPLA2G4BPPARD
SCHEMBL3576162 0.87 LTB4R (0.48) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL3589584 0.84 PPARG (0.47) LTB4RLTB4R2PPARGPLA2G4BPPARD
SCHEMBL3587335 0.84 KDM4E (0.46) LTB4RLTB4R2PPARDKDM4EALDH1A1
SCHEMBL3574981 0.81 PPARG (0.46) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL13440568 0.81 KDM4E (0.52) PPARGPLA2G4BPPARDPPARAKDM4E
SCHEMBL3593830 0.81 LTB4R (0.43) LTB4RLTB4R2PPARGPLA2G4BPPARD
SCHEMBL13407823 0.79 NPC1 (0.60) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL3577071 0.79 LTB4R (0.50) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL3586512 0.79 KDM4E (0.52) LTB4RLTB4R2PPARGPPARDPPARA

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