SCHEMBL7205051

SCHEMBL7205051

CCCCCN(C)CCCCCCOC1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.46
LMNA P02545 3/20 0.44
CNR2 P34972 3/20 0.43
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
THRB P10828 1/20 0.39
KMT2A Q03164 2/20 0.38
GBA1 P04062 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL5092120 0.92 LSS (0.46) LSSLMNACNR2HPGDHTT
SCHEMBL5070017 0.92 LSS (0.45) LSSLMNACNR2HPGDHTT
SCHEMBL7204735 0.89 CA1 (0.43) LSSLMNACNR2HPGDHTT
SCHEMBL7209669 0.88 LSS (0.58) LSSLMNACNR2ALDH1A1THRB
SCHEMBL7203923 0.88 CNR2 (0.47) LMNACNR2HPGDHTTALDH1A1
SCHEMBL7209034 0.88 GBA1 (0.53) LMNAHPGDHTTALDH1A1THRB
SCHEMBL7211573 0.87 LSS (0.57) LSSLMNACNR2ALDH1A1THRB
SCHEMBL7205305 0.86 HPGD (0.47) LMNACNR2HPGDHTTALDH1A1
SCHEMBL7204867 0.85 LMNA (0.44) LMNAHPGDHTTALDH1A1THRB
SCHEMBL7207312 0.84 LMNA (0.45) LMNAHPGDHTTALDH1A1THRB

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