SCHEMBL20140796

SCHEMBL20140796

COC(=O)c1cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.43
RBBP4 Q09028 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 1/20 0.43
AEBP2 Q6ZN18 1/20 0.43
GRM5 P41594 1/20 0.41
NR1H2 P55055 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ESR2 Q92731 1/20 0.39
PKM P14618 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TGFBR1 P36897 1/20 0.36

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
SCHEMBL20140065 0.84 LMNA (0.43) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL31738746 0.84 EED (0.41) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL6615891 0.81 GRM5 (0.45) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL15057509 0.79 GRM5 (0.43) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL14720690 0.77 KMT2A (0.45) GRM5NR1H2LMNAKMT2AMEN1
SCHEMBL1602307 0.77 OGA (0.46) GRM5NR1H2LMNAKMT2AMEN1
SCHEMBL16991986 0.76 ABCB1 (0.43) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL25346497 0.76 ESR2 (0.57) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL29784626 0.76 ESR2 (0.57) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL23044100 0.76 ESR2 (0.56) 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 1 patent. 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