SCHEMBL13309656

SCHEMBL13309656

CC1CC2CC(CNC(=O)C34CCC(c5ccc(S(C)(=O)=O)cc5)(CC3)CC4)C[C@H](C1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 1/20 0.34
SPHK2 Q9NRA0 3/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1502483 0.77 HSD11B1 (0.44) MEN1KMT2AHSD11B1EPHX2
SCHEMBL13784388 0.72 ENPP2 (0.37) KMT2AHSD11B1
SCHEMBL13309763 0.69 POLB (0.35) KMT2AHSD11B1SMN1; SMN2HIF1A
SCHEMBL1604392 0.69 DGAT1 (0.45) LMNA
SCHEMBL12759864 0.69 CYP3A4 (0.39) KMT2AHSD11B1
SCHEMBL1548160 0.67 SPHK2 (0.73) MEN1KMT2AALDH1A1HSD11B1SMN1; SMN2
SCHEMBL5605482 0.66 ENPP2 (0.42) KMT2A
SCHEMBL1604341 0.65 PNMT (0.52)
SCHEMBL1605275 0.64 ENPP2 (0.38) KMT2A
SCHEMBL12759775 0.60 DGAT1 (0.36) ALDH1A1SMN1; SMN2TSHR

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
EP-1797034-B1 SULFONYL COMPOUNDS AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-06-30 EP disclosed