SCHEMBL28557409

SCHEMBL28557409

CC(C)(C)OC(=O)N1CC(CCOS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
GPR119 Q8TDV5 9/20 0.46
TGFBR1 P36897 2/20 0.45
STS P08842 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
HTR6 P50406 3/20 0.43
BCHE P06276 2/20 0.43
RORC P51449 1/20 0.43
NR1H2 P55055 1/20 0.42

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
SCHEMBL4828186 0.89 GPR119 (0.47) NAMPTGPR119NR1H2
SCHEMBL25313896 0.81 GPR119 (0.54) GPR119
SCHEMBL16415290 0.81 GPR119 (0.54) GPR119
SCHEMBL25315425 0.81 GPR119 (0.54) GPR119
SCHEMBL3127034 0.80 NR1H2 (0.49) NAMPTGPR119NR1H2
SCHEMBL2412974 0.80 RORC (0.46) NAMPTGPR119TGFBR1STSRORC
SCHEMBL282240 0.79 GPR119 (0.60) GPR119
SCHEMBL28341502 0.78 NAMPT (0.54) NAMPTGPR119STSKDM4EPKM
SCHEMBL4686828 0.78 KDM4E (0.58) GPR119TGFBR1STSKDM4EPKM
SCHEMBL30954341 0.78 NAMPT (0.49) NAMPTGPR119TGFBR1STSKDM4E

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-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 CN disclosed