SCHEMBL28693283

SCHEMBL28693283

C#CCOCC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.42
NR1H2 P55055 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
GPR119 Q8TDV5 5/20 0.40
EPHX1 P07099 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
FAAH O00519 1/20 0.38
STS P08842 1/20 0.38

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
SCHEMBL21069710 0.92 HPGD (0.49) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL21069366 0.89 NR1H2 (0.49) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL28683476 0.87 MEN1 (0.44) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL30043531 0.86 HPGD (0.46) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL13452495 0.85 NR1H2 (0.50) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL23071051 0.85 MAPT (0.44) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL22650349 0.83 NR1H2 (0.46) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL31752290 0.83 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL31753756 0.83 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL1904787 0.83 MEN1 (0.50) MEN1ALDH1A1MAPTKMT2AHPGD

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-113943276-A Nitrogen heterocyclic compound and application thereof 武汉人福创新药物研发中心有限公司 2022-01-18 CN disclosed