SCHEMBL2667476

SCHEMBL2667476

CCSc1nnc(C23CC4CC(CC(C4)C2)C3)n1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.51
HSD11B1 P28845 7/20 0.49
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
NPC1 O15118 1/20 0.39
HSD17B1 P14061 1/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL611826 0.83 HSD11B1 (0.58) MEN1KMT2AALDH1A1MAPK1HSD11B1
SCHEMBL14277202 0.83 HSD11B1 (0.44) MEN1KMT2AALDH1A1MAPK1HSD11B1
SCHEMBL5095918 0.82 HSD11B1 (0.51) MEN1KMT2AALDH1A1MAPK1HSD11B1
SCHEMBL14277204 0.81 MAPK1 (0.49) MEN1KMT2AALDH1A1MAPK1HSD11B1
SCHEMBL5098164 0.81 HSD11B1 (0.43) MEN1KMT2AALDH1A1MAPK1HSD11B1
SCHEMBL5098113 0.80 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPK1HSD11B1
SCHEMBL5092143 0.79 HSD11B1 (0.62) MEN1KMT2AALDH1A1MAPK1HSD11B1
SCHEMBL5098587 0.78 MAPK1 (0.47) MEN1KMT2AALDH1A1MAPK1HSD11B1
SCHEMBL14277211 0.78 HSD11B1 (0.52) MEN1KMT2AALDH1A1MAPK1HSD11B1
SCHEMBL5092083 0.78 MEN1 (0.48) MEN1KMT2AALDH1A1MAPK1HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
WO-2004110375-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-12-23 WO disclosed