SCHEMBL5329484

SCHEMBL5329484

COc1ccc(-c2ccccc2)cc1C(=O)NCCc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
ALDH1A1 P00352 2/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
PPARA Q07869 2/20 0.54
FABP2 P12104 1/20 0.54
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
NR1H4 Q96RI1 1/20 0.51
DNMT3A Q9Y6K1 1/20 0.50
TP53 P04637 1/20 0.49
ADRB3 P13945 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL11682489 0.91 KDM4E (0.64) KDM4EMAPTALDH1A1PKMSMN1; SMN2
SCHEMBL1154123 0.89 DNMT3A (0.66) KDM4EMAPTALDH1A1PKMSMN1; SMN2
SCHEMBL5323204 0.88 PPARA (0.58) KDM4EMAPTALDH1A1PKMSMN1; SMN2
SCHEMBL1154002 0.87 DNMT3A (0.60) KDM4EMAPTALDH1A1PKMSMN1; SMN2
SCHEMBL14398029 0.87 MAPT (0.61) KDM4EMAPTALDH1A1PKMSMN1; SMN2
SCHEMBL3687774 0.86 DNMT3A (0.69) KDM4EALDH1A1PKMSMN1; SMN2PPARA
SCHEMBL14397668 0.86 PPARA (0.59) KDM4EMAPTALDH1A1PKMSMN1; SMN2
SCHEMBL5321712 0.84 DNMT3A (0.69) MAPTSMN1; SMN2PPARAPPARGNR1H4
SCHEMBL11683949 0.84 KDM4E (0.58) KDM4EMAPTALDH1A1PKMSMN1; SMN2
SCHEMBL5329406 0.84 PPARA (0.54) KDM4EMAPTALDH1A1PKMSMN1; 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