SCHEMBL9857889

SCHEMBL9857889

COc1ccc(OCCCCCC(Sc2ccc(C)cc2)C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.74
PPARA Q07869 17/20 0.74
ALOX5 P09917 14/20 0.74
PTGES O14684 12/20 0.74
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
HPGD P15428 1/20 0.52

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
SCHEMBL9613848 0.95 PPARG (0.81) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9613827 0.90 PPARG (0.73) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9614203 0.89 PPARG (0.72) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9613814 0.89 PPARG (0.72) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9858491 0.89 PPARG (0.75) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9858468 0.88 PPARG (0.74) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL10420826 0.87 PPARG (0.59) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL9614105 0.86 PPARG (0.63) PPARGPPARAALOX5PTGESALDH1A1
SCHEMBL6935114 0.83 PPARG (0.65) PPARGPPARAALOX5PTGES
SCHEMBL6930527 0.82 PPARG (0.67) PPARGPPARAALOX5PTGES

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-0279162-B1 CARBONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-06-19 EP disclosed