SCHEMBL4449385

SCHEMBL4449385

CC1(C)CC2CC(C)(CN2C(=O)c2ccc(OC3CCCC3)cc2)C1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
MEN1 O00255 1/20 0.73
HTT P42858 1/20 0.73
KMT2A Q03164 1/20 0.73
TDP1 Q9NUW8 1/20 0.61
AVPR1A P37288 10/20 0.57
AVPR2 P30518 9/20 0.57
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.54
HSD11B1 P28845 1/20 0.53
TSHR P16473 1/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL4437875 0.99 ALDH1A1 (0.71) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL239593 0.99 ALDH1A1 (0.71) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL241405 0.89 ALDH1A1 (0.67) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL240255 0.89 ALDH1A1 (0.67) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL240649 0.89 ALDH1A1 (0.67) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL241406 0.89 ALDH1A1 (0.67) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL240257 0.89 ALDH1A1 (0.67) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL238799 0.88 ALDH1A1 (0.66) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL240256 0.88 ALDH1A1 (0.66) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL1305931 0.87 ALDH1A1 (0.65) ALDH1A1MEN1HTTKMT2ATDP1

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
EP-2010479-A1 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS High Point Pharmaceuticals, LLC (US) 2009-01-07 EP disclosed
WO-2007115935-A1 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-18 WO disclosed