SCHEMBL28303686

SCHEMBL28303686

CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
NR1H2 P55055 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
USP30 Q70CQ3 3/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL191941 1.00 USP2 (0.44) USP2SMN1; SMN2GPR119NR1H2HSD17B10
SCHEMBL4353389 1.00 USP2 (0.44) USP2SMN1; SMN2GPR119NR1H2HSD17B10
SCHEMBL1536052 0.98 USP2 (0.42) USP2SMN1; SMN2GPR119NR1H2HSD17B10
SCHEMBL3564440 0.86 USP2 (0.42) USP2SMN1; SMN2GPR119NR1H2MMP1
SCHEMBL12524861 0.86 USP2 (0.42) USP2SMN1; SMN2GPR119NR1H2MMP1
Lithium Ion SCHEMBL1536049 0.84 MMP1 (0.42) USP2SMN1; SMN2GPR119NR1H2USP30
SCHEMBL30289256 0.84 MMP1 (0.45) USP2SMN1; SMN2NR1H2MMP1MMP3
SCHEMBL1536817 0.84 MMP1 (0.45) USP2SMN1; SMN2NR1H2MMP1MMP3
SCHEMBL1536816 0.84 MMP1 (0.45) USP2SMN1; SMN2NR1H2MMP1MMP3
SCHEMBL22227 0.84 HSD17B10 (0.51) USP2SMN1; SMN2GPR119NR1H2HSD17B10

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-109803963-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-04-26 CN disclosed
CN-109803963-A The heterocycle that cyano with USP30 inhibitor activity replaces 特殊治疗有限公司 2019-05-24 CN disclosed