SCHEMBL27596347

SCHEMBL27596347

CN(C(=O)O)C1CCC(CCCCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.40
KDM5A P29375 4/20 0.37
PHF8 Q9UPP1 4/20 0.37
KDM2A Q9Y2K7 4/20 0.37
KDM4C Q9H3R0 3/20 0.37
KDM7A Q6ZMT4 1/20 0.37
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
KDM4A O75164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL27596345 1.00 LSS (0.40) LSSKDM5APHF8KDM2AKDM4C
SCHEMBL27578296 0.95 LSS (0.39) LSSKDM5APHF8KDM2AKDM4C
SCHEMBL27578295 0.95 LSS (0.39) LSSKDM5APHF8KDM2AKDM4C
SCHEMBL7209640 0.81 LSS (0.62) LSSKDM5APHF8KDM2AKDM4C
SCHEMBL7209635 0.81 LSS (0.62) LSSKDM5APHF8KDM2AKDM4C
SCHEMBL7208698 0.81 LSS (0.55) LSSKDM5APHF8KDM2AKDM4C
SCHEMBL7208701 0.81 LSS (0.55) LSSKDM5APHF8KDM2AKDM4C
SCHEMBL4805133 0.80 LSS (0.44) LSS
SCHEMBL4805126 0.80 LSS (0.44) LSS
SCHEMBL1118507 0.80 ALDH1A1 (0.36) ALDH1A1

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
CN-100455566-C Novel derivatives of aminocyclohexane HOFFMANN LA ROCHE (CH) 2009-01-28 CN disclosed
CN-1468214-A Novel derivatives of aminocyclohexane - 2004-01-14 CN disclosed