SCHEMBL20142115

SCHEMBL20142115

COC(=O)c1cc(CC2CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.48
RBBP4 Q09028 1/20 0.48
SUZ12 Q15022 1/20 0.48
EZH2 Q15910 1/20 0.48
AEBP2 Q6ZN18 1/20 0.48
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
TGFBR1 P36897 6/20 0.45
KMT2A Q03164 1/20 0.43
GNRHR P30968 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
EPHX2 P34913 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SCN9A Q15858 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL20140685 0.83 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL15058311 0.82 KDM4E (0.56) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL20971864 0.79 EPHX2 (0.56) KDM4EPKMTGFBR1KMT2AGPR119
SCHEMBL20971744 0.78 KDM4E (0.48) KDM4EPKMTGFBR1KMT2AGNRHR
SCHEMBL20971782 0.77 STS (0.48) KDM4EPKMKMT2AGPR119ALDH1A1
SCHEMBL3907013 0.77 KDM4E (0.55) KDM4EPKMKMT2AGPR119ALDH1A1
SCHEMBL31071538 0.76 TGFBR1 (0.51) KDM4EPKMTGFBR1KMT2AGNRHR
SCHEMBL16992177 0.76 STS (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL1295322 0.76 GPR119 (0.61) GPR119
SCHEMBL24717826 0.76 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed