SCHEMBL5329406

SCHEMBL5329406

CCCCc1ccc(OC)c(C(=O)NCCc2ccc(OC(C)(C)C(=O)O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.54
PPARD Q03181 3/20 0.54
PPARG P37231 3/20 0.54
ALDH1A1 P00352 2/20 0.54
FABP2 P12104 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.51
DNMT3A Q9Y6K1 1/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL5323204 0.88 PPARA (0.58) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL14397668 0.86 PPARA (0.59) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL3687774 0.86 DNMT3A (0.69) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL5329484 0.84 KDM4E (0.64) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL14397756 0.83 PPARA (0.45) PPARAPPARDPPARGALDH1A1
SCHEMBL1154123 0.83 DNMT3A (0.66) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL5321299 0.83 PPARA (0.51) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL14398029 0.82 MAPT (0.61) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL11682489 0.81 KDM4E (0.64) PPARAPPARDPPARGALDH1A1FABP2
SCHEMBL1153879 0.80 ALDH1A1 (0.58) PPARAPPARDPPARGALDH1A1FABP2

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