SCHEMBL13637155

SCHEMBL13637155

Nc1ccc(OCCCOc2ccc(OCC(=O)O)cc2)c(C#Cc2ccccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.61
PPARD Q03181 3/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
FFAR1 O14842 3/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL13441640 0.90 PTGDR2 (0.51) PTGDR2PPARDPPARGPPARAFFAR1
SCHEMBL13441807 0.87 PTGDR2 (0.58) PTGDR2PPARDPPARGPPARAFFAR1
SCHEMBL13637154 0.80 PTGDR2 (0.67) PTGDR2PPARDPPARGFFAR1CYP2C9
SCHEMBL13626078 0.78 PTGDR2 (0.51) PTGDR2PPARDPPARGPPARAFFAR1
SCHEMBL3579568 0.78 PTGDR2 (0.67) PTGDR2FFAR1CYP2C9
SCHEMBL13441626 0.77 FFAR1 (0.50) PTGDR2PPARDPPARGPPARAFFAR1
SCHEMBL1369463 0.76 PTGDR2 (1.00) PTGDR2CYP2C9
SCHEMBL13261413 0.71 PTGDR2 (0.78) PTGDR2CYP2C9
SCHEMBL13441825 0.70 PTGDR2 (0.79) PTGDR2CYP2C9
SCHEMBL13637157 0.69 PPARD (0.47) PTGDR2PPARDPPARGPPARAFFAR1

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