SCHEMBL7202897

SCHEMBL7202897

CS(=O)(=O)OCCCC#CC1CCC(NCC(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.45
DPP4 P27487 1/20 0.36
ATF4 P18848 1/20 0.34
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 3/20 0.32
PPARA Q07869 1/20 0.31
ELANE P08246 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
HSD11B1 P28845 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7203539 0.83 LSS (0.38) LSSDPP4ATF4ALDH1A1KMT2A
SCHEMBL7207244 0.81 LSS (0.41) LSSDPP4ATF4KMT2APPARA
SCHEMBL7202898 0.81 LSS (0.69) LSSLMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL6447767 0.74 LSS (0.41) LSSALDH1A1KMT2AGAAMEN1
SCHEMBL7203314 0.74 ERCC5 (0.37) LSSDPP4ATF4ALDH1A1KDM4E
SCHEMBL5024123 0.71 SMN1; SMN2 (0.50) DPP4ATF4ALDH1A1TDP1KMT2A
SCHEMBL6018945 0.71 ALDH1A1 (0.38) DPP4ATF4ALDH1A1KMT2AMEN1
SCHEMBL6450196 0.68 MGLL (0.47) LSSALDH1A1KMT2AMEN1LMNA
SCHEMBL28749452 0.68 ATF4 (0.36) LSSDPP4ATF4ALDH1A1KMT2A
SCHEMBL27579928 0.68 LSS (0.62) LSSLMNAMAPTSMN1; SMN2L3MBTL1

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-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed