SCHEMBL13637154

SCHEMBL13637154

Nc1ccc(OCCCOc2ccc(OCC(=O)O)cc2)c(C#Cc2cccc(Cl)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.67
CYP2C9 P11712 1/20 0.67
PPARG P37231 2/20 0.51
PPARD Q03181 2/20 0.51
FFAR1 O14842 1/20 0.51

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
SCHEMBL13441807 0.89 PTGDR2 (0.58) PTGDR2CYP2C9PPARGPPARDFFAR1
SCHEMBL13441809 0.89 PTGDR2 (0.69) PTGDR2CYP2C9PPARGPPARDFFAR1
SCHEMBL13637156 0.84 PTGDR2 (0.69) PTGDR2CYP2C9FFAR1
SCHEMBL13441825 0.82 PTGDR2 (0.79) PTGDR2CYP2C9
SCHEMBL1368182 0.81 PTGDR2 (1.00) PTGDR2CYP2C9
SCHEMBL13637155 0.80 PTGDR2 (0.61) PTGDR2CYP2C9PPARGPPARDFFAR1
SCHEMBL13441626 0.79 FFAR1 (0.50) PTGDR2CYP2C9PPARGPPARDFFAR1
SCHEMBL3711608 0.76 PTGDR2 (0.85) PTGDR2CYP2C9
SCHEMBL3578823 0.74 PTGDR2 (0.65) PTGDR2CYP2C9FFAR1
SCHEMBL1368495 0.74 PTGDR2 (1.00) PTGDR2CYP2C9

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