SCHEMBL5069078

SCHEMBL5069078

CCN(CCO)CCCC#CC1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.53
LMNA P02545 2/20 0.39
CNR2 P34972 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
GBA1 P04062 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
TGFBR1 P36897 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
SCHEMBL7203719 0.85 LSS (0.71) LSSLMNACNR2ALDH1A1MEN1
SCHEMBL4804990 0.83 LSS (0.70) LSS
SCHEMBL4804999 0.83 LSS (0.70) LSS
SCHEMBL6529024 0.81 GBA1 (0.43) LMNACNR2ALDH1A1MEN1CYP2C9
SCHEMBL5068898 0.81 GBA1 (0.43) LMNACNR2ALDH1A1MEN1CYP2C9
SCHEMBL6447874 0.81 LSS (0.51) LSSALDH1A1MEN1KMT2A
SCHEMBL4804150 0.77 LSS (0.67) LSS
SCHEMBL4804159 0.77 LSS (0.67) LSS
SCHEMBL6018504 0.76 LSS (0.55) LSS
SCHEMBL6018501 0.76 LSS (0.55) 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