SCHEMBL9614080

SCHEMBL9614080

CCCCCCOC(CCOCCc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.55
PPARG P37231 8/20 0.51
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
RARB P10826 4/20 0.39
ALDH1A1 P00352 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
MEN1 O00255 1/20 0.39
RARA P10276 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR2 O95136 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR4 O95977 1/20 0.39

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
SCHEMBL9613870 0.81 PPARA (0.51) PPARAPPARG
SCHEMBL9614063 0.79 PPARA (0.47) PPARAPPARGPTGESALOX5S1PR2
SCHEMBL11317725 0.79 PPARA (0.76) PPARAPPARGPTGESALOX5ALDH1A1
SCHEMBL9613878 0.78 PPARA (0.47) PPARAPPARGMEN1KMT2AS1PR2
SCHEMBL11847654 0.75 ALDH1A1 (0.54) PPARAPPARGPTGESALOX5RARB
SCHEMBL9614214 0.75 PPARA (0.62) PPARAPPARGPTGESALOX5
SCHEMBL9613990 0.75 PPARA (0.62) PPARAPPARGPTGESALOX5
SCHEMBL9613951 0.75 PPARA (0.67) PPARAPPARG
SCHEMBL8775067 0.74 RARB (0.65) RARBALDH1A1MEN1RARAMAPT
SCHEMBL14672531 0.74 RARB (0.65) RARBALDH1A1MEN1RARAMAPT

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-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed