SCHEMBL5328239

SCHEMBL5328239

COc1ccc(-n2cccc2)cc1C(=O)NC(C)Cc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARA Q07869 6/20 0.40
PPARG P37231 4/20 0.40
PPARD Q03181 3/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 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
SCHEMBL5323469 0.86 MEN1 (0.48) ACACBALDH1A1MEN1KMT2APPARA
SCHEMBL5325161 0.85 ACACB (0.48) ACACBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5326505 0.84 NR1H4 (0.49) ACACBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14397275 0.84 NR1H4 (0.49) ACACBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14397757 0.84 ALDH1A1 (0.43) ACACBALDH1A1MEN1KMT2APPARA
SCHEMBL5321332 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2APPARA
SCHEMBL14398214 0.83 MEN1 (0.49) ALDH1A1MEN1KMT2APPARAPPARG
SCHEMBL14397756 0.81 PPARA (0.45) ALDH1A1MEN1KMT2APPARAPPARG
SCHEMBL14399160 0.81 PPARG (0.43) ACACBALDH1A1PPARAPPARGCNR1
SCHEMBL5326619 0.80 ALDH1A1 (0.42) ACACBALDH1A1SMN1; SMN2MEN1KMT2A

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