SCHEMBL29022290

SCHEMBL29022290

CC(C)(C)OC(=O)N1CCOC[C@H]1C#N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSK P43235 3/20 0.43
RECQL P46063 1/20 0.43
DPP4 P27487 4/20 0.37
CTSD P07339 2/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL3086236 1.00 USP2 (0.47) USP2SMN1; SMN2CTSKRECQLDPP4
SCHEMBL5786166 0.86 SMN1; SMN2 (0.36) USP2SMN1; SMN2CTSKRECQLDPP4
SCHEMBL6237112 0.85 SMN1; SMN2 (0.47) USP2SMN1; SMN2CTSKRECQLMEN1
SCHEMBL18344821 0.85 SMN1; SMN2 (0.47) USP2SMN1; SMN2CTSKRECQLMEN1
SCHEMBL6132726 0.85 SMN1; SMN2 (0.47) USP2SMN1; SMN2CTSKRECQLMEN1
SCHEMBL25181600 0.82 SMN1; SMN2 (0.44) USP2SMN1; SMN2CTSKRECQLMEN1
SCHEMBL15764132 0.80 SMN1; SMN2 (0.45) USP2SMN1; SMN2CTSKRECQLCTSD
SCHEMBL6166916 0.80 CTSK (0.49) CTSKDPP4MEN1ALDH1A1MAPT
SCHEMBL16067363 0.80 CTSK (0.49) CTSKDPP4MEN1ALDH1A1MAPT
SCHEMBL12021701 0.78 USP2 (0.53) USP2SMN1; SMN2RECQLHSD17B10

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