SCHEMBL14397668

SCHEMBL14397668

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.59
ALDH1A1 P00352 4/20 0.59
PPARD Q03181 2/20 0.59
FABP2 P12104 1/20 0.59
PPARG P37231 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 2/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.52
DNMT3A Q9Y6K1 1/20 0.52
ESRRG P62508 4/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NLRP3 Q96P20 1/20 0.48
GAA P10253 1/20 0.47
ESRRB O95718 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 0.89 PPARA (0.58) PPARAALDH1A1PPARDFABP2PPARG
SCHEMBL6363486 0.89 ALDH1A1 (0.58) PPARAALDH1A1PPARDSMN1; SMN2MAPT
SCHEMBL3687774 0.88 DNMT3A (0.69) PPARAALDH1A1PPARDFABP2PPARG
SCHEMBL5329406 0.86 PPARA (0.54) PPARAALDH1A1PPARDFABP2PPARG
SCHEMBL5329484 0.86 KDM4E (0.64) PPARAALDH1A1PPARDFABP2PPARG
SCHEMBL1154123 0.85 DNMT3A (0.66) PPARAALDH1A1PPARDFABP2PPARG
SCHEMBL14398029 0.84 MAPT (0.61) PPARAALDH1A1PPARDFABP2PPARG
SCHEMBL11682489 0.82 KDM4E (0.64) PPARAALDH1A1PPARDFABP2PPARG
SCHEMBL14397757 0.82 ALDH1A1 (0.43) PPARAALDH1A1PPARDPPARGMEN1
SCHEMBL1153879 0.80 ALDH1A1 (0.58) PPARAALDH1A1PPARDFABP2PPARG

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