SCHEMBL28340709

SCHEMBL28340709

CC(C)(C)OC(=O)N1CC(=O)C1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HSD11B1 P28845 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H2 P55055 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL29511352 0.82 GPR119 (0.39) GPR119USP2SMN1; SMN2NR1H2KDM4E
SCHEMBL15797129 0.80 MAPK1 (0.39) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL30867786 0.80 MAPK1 (0.39) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL31066400 0.80 MAPK1 (0.39) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL23466965 0.79 RORC (0.41) MEN1KMT2AGPR119NR1H2HSD17B10
SCHEMBL16080218 0.78 HSD11B1 (0.33) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL29481662 0.77 MAPK1 (0.41) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL31460381 0.76 CHRM2 (0.42) CHRM2CHRM1CHRM3HSD11B1USP2
SCHEMBL19868987 0.76 HSD11B1 (0.40) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL24894203 0.75 CTSK (0.40) MEN1KMT2ACHRM2CHRM1CHRM3

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-109053523-B Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2022-03-25 CN disclosed
CN-110668988-A Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2020-01-10 CN disclosed