SCHEMBL5326665

SCHEMBL5326665

COc1ccc(-c2ccccc2)cc1C(=O)N[C@H](C)Cc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
CDK2 P24941 2/20 0.48
ACACB O00763 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMPD1 P17405 1/20 0.46
CYP3A4 P08684 1/20 0.46
PSMB5 P28074 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
MME P08473 1/20 0.44

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
SCHEMBL5324896 1.00 NR1H4 (0.55) NR1H4PPARGPPARAADRB1ADRB3
SCHEMBL5325179 1.00 NR1H4 (0.55) NR1H4PPARGPPARAADRB1ADRB3
SCHEMBL5326505 0.85 NR1H4 (0.49) NR1H4PPARGPPARAADRB1ADRB3
SCHEMBL14397275 0.85 NR1H4 (0.49) NR1H4PPARGPPARAADRB1ADRB3
SCHEMBL5327174 0.84 ALDH1A1 (0.51) PPARAADRB3ACACBALDH1A1PSMB5
SCHEMBL5325174 0.83 ALDH1A1 (0.70) PPARGACACBALDH1A1PSMB5DNMT3A
SCHEMBL14397665 0.83 KMT2A (0.60) ACACBALDH1A1MEN1KMT2A
SCHEMBL18998085 0.82 USP2 (0.57) NR1H4PPARGPPARAADRB1ADRB3
SCHEMBL5324280 0.81 ROCK2 (0.49) ACACBALDH1A1PSMB5MEN1KMT2A
SCHEMBL14398212 0.81 ALDH1A1 (0.48) NR1H4PPARAACACBALDH1A1SMN1; SMN2

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