SCHEMBL4077498

SCHEMBL4077498

COCOc1ccc(/C(C)=N\OCCCCC2COC(C)(C(=O)O)OC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.46
PPARG P37231 6/20 0.46
GPR119 Q8TDV5 8/20 0.39
ALDH1A1 P00352 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
SCHEMBL4077503 1.00 PPARA (0.46) PPARAPPARGGPR119ALDH1A1
SCHEMBL3776259 0.91 PPARA (0.40) PPARAPPARGGPR119ALDH1A1
SCHEMBL3767153 0.90 PPARA (0.48) PPARAPPARGGPR119
SCHEMBL3767156 0.90 PPARA (0.48) PPARAPPARGGPR119
SCHEMBL3758078 0.90 PPARA (0.53) PPARAPPARGALDH1A1
SCHEMBL3758083 0.90 PPARA (0.53) PPARAPPARGALDH1A1
SCHEMBL3776262 0.88 PPARA (0.39) PPARAPPARGGPR119ALDH1A1
SCHEMBL3766160 0.86 PPARA (0.48) PPARAPPARG
SCHEMBL3766162 0.86 PPARA (0.48) PPARAPPARG
SCHEMBL3762860 0.86 PPARA (0.46) PPARAPPARG

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
EP-1989192-B1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LTD (IN) 2009-07-22 EP claimed