SCHEMBL7208701

SCHEMBL7208701

CCN(CCO)CCCC1CCC(N(C)C(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.55
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
MAPT P10636 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL7208698 1.00 LSS (0.55) LSSARG1ARG2KDM5AKDM7A
SCHEMBL7209635 0.95 LSS (0.62) LSSARG1ARG2KDM5AKDM7A
SCHEMBL7209640 0.95 LSS (0.62) LSSARG1ARG2KDM5AKDM7A
SCHEMBL27578295 0.82 LSS (0.39) LSSKDM5AKDM7AKDM4CPHF8
SCHEMBL27578296 0.82 LSS (0.39) LSSKDM5AKDM7AKDM4CPHF8
SCHEMBL27596347 0.81 LSS (0.40) LSSKDM5AKDM7AKDM4CPHF8
SCHEMBL27596345 0.81 LSS (0.40) LSSKDM5AKDM7AKDM4CPHF8
SCHEMBL7205517 0.80 LSS (0.43) LSSARG1ARG2CYP2D6ALDH1A1
SCHEMBL7205514 0.80 LSS (0.43) LSSARG1ARG2CYP2D6ALDH1A1
SCHEMBL7204663 0.79 LSS (0.44) LSSARG1ARG2KDM5AKDM4C

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