SCHEMBL14397757

SCHEMBL14397757

COc1ccc(C(C)(C)C)cc1C(=O)NC(C)Cc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
PPARA Q07869 8/20 0.43
PPARG P37231 4/20 0.43
PPARD Q03181 3/20 0.43
NR1H4 Q96RI1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 5/20 0.41

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
SCHEMBL5323469 0.91 MEN1 (0.48) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL5321332 0.88 ALDH1A1 (0.59) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL14397275 0.86 NR1H4 (0.49) ALDH1A1PPARAPPARGPPARDNR1H4
SCHEMBL5326505 0.86 NR1H4 (0.49) ALDH1A1PPARAPPARGPPARDNR1H4
SCHEMBL14397756 0.85 PPARA (0.45) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL14398212 0.85 ALDH1A1 (0.48) ALDH1A1PPARAPPARDNR1H4MEN1
SCHEMBL14398214 0.85 MEN1 (0.49) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL5326619 0.84 ALDH1A1 (0.42) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL5328239 0.84 ACACB (0.42) ALDH1A1PPARAPPARGPPARDMEN1
SCHEMBL14397668 0.82 PPARA (0.59) ALDH1A1PPARAPPARGPPARDMEN1

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
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed