SCHEMBL8077913

SCHEMBL8077913

Nc1ccc(CNC(=O)O[C@H](CCO)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
UTS2R Q9UKP6 1/20 0.52
CYP19A1 P11511 1/20 0.49
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SOAT1 P35610 1/20 0.40
PPIB P23284 1/20 0.40
CASR P41180 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCHE P06276 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL13110980 0.83 HDAC1 (0.58)
SCHEMBL8093782 0.82 HDAC1 (0.49) UTS2RMEN1KMT2A
SCHEMBL13111067 0.82 HDAC1 (0.47) UTS2R
SCHEMBL27545775 0.79 CYP2D6 (0.50) PPARGPPARAUTS2RCYP19A1CNR2
SCHEMBL14065145 0.76 UTS2R (0.60) PPARGPPARAUTS2RCYP19A1MEN1
SCHEMBL14065176 0.75 UTS2R (0.84) PPARGPPARAUTS2RCYP19A1
SCHEMBL14064826 0.73 UTS2R (0.66) PPARGPPARAUTS2RCYP19A1
SCHEMBL22813473 0.73 ADRB1 (0.49)
SCHEMBL28552915 0.73 ADRB1 (0.49)
SCHEMBL14065228 0.72 UTS2R (0.68) PPARGPPARAUTS2RCYP19A1

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-2009015237-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed