SCHEMBL7211484

SCHEMBL7211484

CCCCCN(C)CCCCCCO[C@H]1CC[C@H](N(C)C(=O)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.43
EYA2 O00167 1/20 0.39
TP53 P04637 1/20 0.39
KDM5A P29375 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.38
CCR3 P51677 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL7211480 1.00 LSS (0.43) LSSEYA2TP53KDM5ATSHR
SCHEMBL7209249 0.90 LSS (0.45) LSSLMNATHRATHRB
SCHEMBL7212794 0.90 LSS (0.45) LSSEYA2THRATHRB
SCHEMBL7209246 0.90 LSS (0.45) LSSLMNATHRATHRB
SCHEMBL7212791 0.90 LSS (0.45) LSSEYA2THRATHRB
SCHEMBL7204624 0.89 LSS (0.56) LSSCCR3THRATHRB
SCHEMBL7208952 0.89 LSS (0.44) LSSTHRATHRB
SCHEMBL7204630 0.89 LSS (0.56) LSSCCR3THRATHRB
SCHEMBL7204881 0.89 LSS (0.56) LSSCCR3THRATHRB
SCHEMBL7208948 0.89 LSS (0.44) LSSTHRATHRB

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