SCHEMBL9696891

SCHEMBL9696891

COC[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H2 P55055 1/20 0.34
ATM Q13315 2/20 0.34
PARP1 P09874 1/20 0.34
HSD11B1 P28845 1/20 0.33
PTPN1 P18031 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
AR P10275 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL19074545 1.00 MEN1 (0.34) MEN1KMT2ANR1H2ATMPARP1
SCHEMBL29280769 1.00 MEN1 (0.34) MEN1KMT2ANR1H2ATMPARP1
SCHEMBL12300133 0.88 HSD11B1 (0.34) MEN1KMT2ANR1H2ATMPARP1
SCHEMBL18700390 0.85 ELANE (0.36) MEN1KMT2AATMPARP1ELANE
SCHEMBL25569896 0.84 ATM (0.37) MEN1KMT2ANR1H2ATMPARP1
SCHEMBL8936130 0.84 NR1H2 (0.42) MEN1KMT2ANR1H2ATMPARP1
SCHEMBL585407 0.84 MEN1 (0.33) MEN1KMT2ANR1H2ATMPARP1
SCHEMBL8936048 0.84 HSD11B1 (0.36) NR1H2ATMHSD11B1PTPN1
SCHEMBL585406 0.84 MEN1 (0.33) MEN1KMT2ANR1H2ATMPARP1
SCHEMBL6183315 0.83 HSD17B10 (0.35) MEN1KMT2ANR1H2ATMPARP1

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-105037367-A Amino six-membered ring derivative and application thereof in medicines SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-11-11 CN disclosed
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed