SCHEMBL20140685

SCHEMBL20140685

COC(=O)c1cc(CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1C

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 1/20 0.47
PKM P14618 1/20 0.47
TGFBR1 P36897 5/20 0.46
GNRHR P30968 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
MAPK14 Q16539 1/20 0.44
YAP1 P46937 1/20 0.44
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
PTPN2 P17706 1/20 0.43

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
SCHEMBL16992177 0.86 STS (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL20142115 0.83 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL3907013 0.83 KDM4E (0.55) KDM4EPKMALDH1A1TP53MAPT
SCHEMBL25487258 0.82 ALDH1A1 (0.53) KDM4EALDH1A1CYP2C9CYP2C19TP53
SCHEMBL17982809 0.81 KDM4E (0.56) KDM4EPKMTGFBR1YAP1TP53
SCHEMBL29181014 0.81 NAMPT (0.52) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL12128826 0.80 SLC6A4 (0.49) KDM4EPKMGNRHRYAP1TLR7
SCHEMBL16113579 0.80 GPR119 (0.61) KDM4EPKMCYP2C19TP53LMNA
SCHEMBL30344060 0.79 GPR119 (0.54) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL25155201 0.79 GPR119 (0.54) 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