SCHEMBL7203539

SCHEMBL7203539

CS(=O)(=O)OCCCC1CCC(NCC(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.38
DPP4 P27487 1/20 0.37
ATF4 P18848 1/20 0.37
PPARA Q07869 1/20 0.36
ELANE P08246 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
KMT2A Q03164 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP8 P22894 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
PKM P14618 1/20 0.34
NR3C2 P08235 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7207244 0.96 LSS (0.41) LSSDPP4ATF4PPARAELANE
SCHEMBL7202897 0.83 LSS (0.45) LSSDPP4ATF4PPARAELANE
SCHEMBL6019091 0.79 LSS (0.48) LSSGPR119
SCHEMBL6019087 0.79 LSS (0.48) LSSGPR119
SCHEMBL6020052 0.79 LSS (0.57) LSSGPR119
SCHEMBL7203542 0.79 LSS (0.61) LSSGPR119
SCHEMBL6020056 0.79 LSS (0.57) LSSGPR119
SCHEMBL6018945 0.78 ALDH1A1 (0.38) DPP4ATF4KMT2APKMNR3C2
SCHEMBL6019198 0.77 LSS (0.48) LSSGPR119ITGB3ITGA2B
SCHEMBL6019193 0.77 LSS (0.48) LSSGPR119ITGB3ITGA2B

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