SCHEMBL431863

SCHEMBL431863

NC1CCC(CCCCC2CCC(N)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KDM5A P29375 1/20 0.31
KDM7A Q6ZMT4 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
DRD2 P14416 1/20 0.31
PRMT3 O60678 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
SCHEMBL10878863 0.97 SIGMAR1 (0.48) SIGMAR1CYP1A2LMNAMAPK1HTT
SCHEMBL224496 0.94 SIGMAR1 (0.39) SIGMAR1CYP1A2LMNAMAPK1HTT
SCHEMBL10348157 0.89 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5AKDM4CPHF8
SCHEMBL10417810 0.89 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5AKDM4CPHF8
SCHEMBL2159790 0.87 CYP1A2 (0.50) SIGMAR1CYP1A2LMNAMAPK1HTT
SCHEMBL28973173 0.87 SIGMAR1 (0.37) SIGMAR1CYP1A2LMNAMAPK1HTT
SCHEMBL17592459 0.87 CYP1A2 (0.50) SIGMAR1CYP1A2LMNAMAPK1HTT
SCHEMBL4811849 0.87 SIGMAR1 (0.37) SIGMAR1CYP1A2LMNAMAPK1HTT
SCHEMBL2159788 0.87 CYP1A2 (0.50) SIGMAR1CYP1A2LMNAMAPK1HTT
SCHEMBL4811842 0.87 SIGMAR1 (0.37) SIGMAR1CYP1A2KDM5AKDM7AKDM4C

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-2596041-A1 POLYURETHANE HAVING HIGH LIGHT REFRACTION Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
WO-2012010526-A1 POLYURETHANE HAVING HIGH LIGHT REFRACTION BAYER MATERIALSCIENCE AG (DE) 2012-01-26 WO disclosed