SCHEMBL5066740

SCHEMBL5066740

C=CCNCCCOC1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 6/20 0.40
ADAMTS5 Q9UNA0 2/20 0.40
CNR2 P34972 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GBA1 P04062 1/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
LSS P48449 1/20 0.38
NPC1 O15118 1/20 0.38
CYP19A1 P11511 1/20 0.38
TGFBR1 P36897 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL7205305 0.85 HPGD (0.47) HPGDHTTTP53ALDH1A1CNR2
SCHEMBL7203923 0.83 CNR2 (0.47) HPGDHTTTP53ALDH1A1CNR2
SCHEMBL4803721 0.81 LSS (0.55) ALDH1A1LSS
SCHEMBL4803715 0.81 LSS (0.55) ALDH1A1LSS
SCHEMBL7211522 0.80 USP30 (0.44) HPGDHTTALDH1A1CNR2L3MBTL1
SCHEMBL7204735 0.79 CA1 (0.43) HPGDHTTALDH1A1CNR2GBA1
SCHEMBL4798719 0.78 LSS (0.55) LSS
SCHEMBL5070017 0.78 LSS (0.45) HPGDHTTALDH1A1CNR2GBA1
SCHEMBL4798709 0.78 LSS (0.55) LSS
SCHEMBL4797875 0.77 LSS (0.56) LSS

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-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed