SCHEMBL27902140

SCHEMBL27902140

CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NN)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.49
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
EPHX1 P07099 1/20 0.44
NR1H2 P55055 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
YAP1 P46937 1/20 0.41
RECQL P46063 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 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
SCHEMBL12425116 1.00 GLS (0.49) GLSKDM4EPKMEPHX1NR1H2
SCHEMBL18508122 0.92 GLS (0.58) GLSEPHX1NR1H2HPGDMEN1
SCHEMBL7445355 0.92 GLS (0.55) GLSKDM4EPKMEPHX1HPGD
SCHEMBL2300227 0.88 NR1H2 (0.51) GLSKDM4EPKMEPHX1NR1H2
SCHEMBL15372980 0.87 GLS (0.50) GLSKDM4EPKMEPHX1NR1H2
SCHEMBL31324694 0.84 NR1H2 (0.47) GLSKDM4EPKMEPHX1NR1H2
SCHEMBL6526761 0.84 NR1H2 (0.47) GLSKDM4EPKMEPHX1NR1H2
SCHEMBL31472925 0.84 NR1H2 (0.47) GLSKDM4EPKMEPHX1NR1H2
SCHEMBL20565243 0.83 KDM4E (0.47) GLSKDM4EPKMEPHX1NR1H2
SCHEMBL852498 0.83 KDM4E (0.47) GLSKDM4EPKMEPHX1NR1H2

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
CN-102858175-A Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC 2013-01-02 CN disclosed