SCHEMBL29022353

SCHEMBL29022353

COC(=O)CC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHA2 P29317 4/20 0.41
RECQL P46063 1/20 0.41
ERBB2 P04626 1/20 0.40
EPHB4 P54760 1/20 0.40
GLA P06280 1/20 0.39
NR1H2 P55055 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
PDK1 Q15118 3/20 0.37
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL28795422 1.00 USP2 (0.46) USP2SMN1; SMN2EPHA2RECQLERBB2
SCHEMBL28795423 1.00 USP2 (0.46) USP2SMN1; SMN2EPHA2RECQLERBB2
SCHEMBL18259311 0.88 USP2 (0.43) USP2SMN1; SMN2EPHA2RECQLGLA
SCHEMBL18259631 0.88 USP2 (0.43) USP2SMN1; SMN2EPHA2RECQLGLA
SCHEMBL18259310 0.88 USP2 (0.43) USP2SMN1; SMN2EPHA2RECQLGLA
SCHEMBL18259593 0.87 USP2 (0.48) USP2SMN1; SMN2EPHA2RECQLERBB2
SCHEMBL31479278 0.87 USP2 (0.48) USP2SMN1; SMN2EPHA2RECQLERBB2
SCHEMBL18259594 0.87 USP2 (0.48) USP2SMN1; SMN2EPHA2RECQLERBB2
SCHEMBL29022279 0.86 USP2 (0.47) USP2SMN1; SMN2EPHA2RECQLERBB2
SCHEMBL29022280 0.86 USP2 (0.47) USP2SMN1; SMN2EPHA2RECQLERBB2

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-107793409-B Dihydropyrimidine compound and application thereof in medicine 广东东阳光药业有限公司 2022-09-27 CN disclosed