SCHEMBL20333301

SCHEMBL20333301

COC(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SETD7 Q8WTS6 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR119 Q8TDV5 4/20 0.45
NR1H2 P55055 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP2C19 P33261 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL28346940 1.00 HDAC1 (0.54) HDAC1HDAC6L3MBTL1LMNAALDH1A1
SCHEMBL31403464 0.88 GPR119 (0.46) HDAC1HDAC6SETD7GPR119MEN1
SCHEMBL30774994 0.88 GPR119 (0.47) HDAC1HDAC6SETD7GPR119MEN1
SCHEMBL17086710 0.87 HDAC1 (0.53) HDAC1HDAC6L3MBTL1LMNAALDH1A1
SCHEMBL20684921 0.87 ALDH1A1 (0.47) HDAC1HDAC6L3MBTL1ALDH1A1SETD7
SCHEMBL18083710 0.87 ALDH1A1 (0.47) HDAC1HDAC6L3MBTL1ALDH1A1SETD7
SCHEMBL18083774 0.87 ALDH1A1 (0.47) HDAC1HDAC6L3MBTL1ALDH1A1SETD7
SCHEMBL15055262 0.87 GPR119 (0.50) GPR119MAPTKDM4E
SCHEMBL14198702 0.87 GPR119 (0.50) GPR119MAPTKDM4E
SCHEMBL12340707 0.87 GPR119 (0.50) GPR119MAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110573497-A Histone deacetylase inhibitors 生物马林药物股份有限公司 2019-12-13 CN disclosed
WO-2018119362-A2 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICALS INC. (US) 2018-06-28 WO disclosed