SCHEMBL30476239

SCHEMBL30476239

CC(C)(C)OC(=O)N1CC2(C1)OC(=O)c1c(Br)cccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.41
ROCK2 O75116 1/20 0.39
PDK4 Q16654 1/20 0.39
RORC P51449 2/20 0.38
GPR119 Q8TDV5 4/20 0.38
PDK2 Q15119 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
SCD5 Q86SK9 1/20 0.36
CRBN Q96SW2 1/20 0.35
UCHL1 P09936 1/20 0.35
ESR2 Q92731 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL30476276 0.80 HSD11B1 (0.46) PDK4GPR119PDK2CHRM2CHRM4
SCHEMBL19341628 0.79 UCHL1 (0.39) ROCK2PDK4RORCGPR119PDK2
SCHEMBL17586451 0.78 RORC (0.42) USP30ROCK2PDK4RORCPDK2
SCHEMBL30476275 0.76 DHODH (0.34)
SCHEMBL30695735 0.75 USP30 (0.47) USP30ROCK2PDK4GPR119PDK2
SCHEMBL30334973 0.75 RORC (0.45) USP30RORCGPR119PDK2HDAC1
SCHEMBL15156278 0.75 RORC (0.45) USP30RORCGPR119PDK2HDAC1
SCHEMBL23291785 0.74 RORC (0.44) RORCGPR119PDK2HDAC1HDAC8
SCHEMBL30334978 0.74 RORC (0.44) RORCGPR119PDK2HDAC1HDAC8
SCHEMBL349129 0.71 HSD11B1 (0.55) USP30

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-116332937-A Dipeptidyl peptidase I inhibitors and uses thereof 杭州邦顺制药有限公司 2023-06-27 CN disclosed