SCHEMBL20140065

SCHEMBL20140065

COC(=O)c1cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
GRM5 P41594 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
EED O75530 1/20 0.41
RBBP4 Q09028 1/20 0.41
SUZ12 Q15022 1/20 0.41
EZH2 Q15910 1/20 0.41
AEBP2 Q6ZN18 1/20 0.41
NR1H2 P55055 2/20 0.41
ESR2 Q92731 1/20 0.40
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
HDAC1 Q13547 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ABCB1 P08183 1/20 0.38
TGFBR1 P36897 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL20141391 0.87 MEN1 (0.35) LMNAGRM5MEN1KMT2AEED
SCHEMBL16991986 0.86 ABCB1 (0.43) GRM5EEDRBBP4SUZ12EZH2
SCHEMBL20140796 0.84 EED (0.43) LMNAGRM5MEN1KMT2AEED
SCHEMBL1602307 0.82 OGA (0.46) LMNAGRM5MEN1KMT2ANR1H2
SCHEMBL6392515 0.81 GRM5 (0.45) GRM5MEN1KMT2ANR1H2ESR2
SCHEMBL6615891 0.79 GRM5 (0.45) GRM5EEDRBBP4SUZ12EZH2
SCHEMBL20333548 0.79 KMT2A (0.46) GRM5MEN1KMT2ANR1H2HDAC1
SCHEMBL20304927 0.79 KMT2A (0.46) GRM5MEN1KMT2ANR1H2HDAC1
SCHEMBL20304926 0.79 KMT2A (0.46) GRM5MEN1KMT2ANR1H2HDAC1
SCHEMBL4959967 0.78 ESR2 (0.46) GRM5MEN1KMT2ANR1H2ESR2

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