SCHEMBL28504265

SCHEMBL28504265

CCOC(=O)C1(C(=O)OCC)CN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.42
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 1/20 0.39
OPRM1 P35372 3/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
TRPA1 O75762 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
OPRD1 P41143 2/20 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
SCHEMBL14535333 0.79
SCHEMBL337356 0.77 OPRM1 (0.41) POLBALDH1A1ATMALOX15KDM4E
SCHEMBL3211657 0.74 POLB (0.47) POLBALDH1A1ATMALOX15KDM4E
SCHEMBL8903867 0.74 POLB (0.47) POLBALDH1A1ATMALOX15KDM4E
SCHEMBL8249142 0.73 OPRM1 (0.41) POLBALOX15KDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL22233748 0.73 POLB (0.46) POLBALDH1A1ATMALOX15KDM4E
SCHEMBL1963692 0.73 BRD4 (0.47) POLBALDH1A1ATMALOX15KDM4E
SCHEMBL26694733 0.72 CYP3A4 (0.38) POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL7326403 0.72 POLB (0.41) POLBALDH1A1ATMALOX15KDM4E
Hydrochloric Acid SCHEMBL25271505 0.71 BRD4 (0.46) POLBALDH1A1ATMALOX15KDM4E

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-108752253-B Multi-nitrogen heterocyclic non-natural chiral amino acid and synthesis method thereof 深圳市茵诺圣生物科技有限公司 2020-11-24 CN disclosed