SCHEMBL7209640

SCHEMBL7209640

CCN(CCO)CCCCCC1CCC(N(C)C(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.62
KDM5A P29375 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
PHF8 Q9UPP1 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
KDM7A Q6ZMT4 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
TP53 P04637 1/20 0.32

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
SCHEMBL7209635 1.00 LSS (0.62) LSSKDM5AKDM4CPHF8KDM2A
SCHEMBL7208701 0.95 LSS (0.55) LSSKDM5AKDM4CPHF8KDM2A
SCHEMBL7208698 0.95 LSS (0.55) LSSKDM5AKDM4CPHF8KDM2A
SCHEMBL27596345 0.81 LSS (0.40) LSSKDM5AKDM4CPHF8KDM2A
SCHEMBL27596347 0.81 LSS (0.40) LSSKDM5AKDM4CPHF8KDM2A
SCHEMBL27578295 0.80 LSS (0.39) LSSKDM5AKDM4CPHF8KDM2A
SCHEMBL27578296 0.80 LSS (0.39) LSSKDM5AKDM4CPHF8KDM2A
SCHEMBL7204665 0.80 LSS (0.44) LSSKDM5AKDM4CBCHEACHE
SCHEMBL7204663 0.80 LSS (0.44) LSSKDM5AKDM4CBCHEACHE
SCHEMBL7209634 0.79 LSS (0.48) LSSKDM5AKDM4CPHF8KDM2A

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 4 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 claimed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO claimed
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