SCHEMBL20171025

SCHEMBL20171025

C/C=C(C)\C=C(/C)CCCCCCNC

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PAOX Q6QHF9 4/20 0.33
ADRA1A P35348 1/20 0.31
SIGMAR1 Q99720 2/20 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
SCHEMBL19020687 0.85 EPHX1 (0.44) EPHX1KDM4AKDM4CPAOXADRA1A
SCHEMBL19724804 0.75 EPHX1 (0.39) EPHX1KDM4AKDM4CPAOXADRA1A
SCHEMBL12640843 0.75
SCHEMBL16084907 0.75
SCHEMBL20733123 0.75 EPHX1 (0.35) EPHX1KDM4AKDM4CSIGMAR1
SCHEMBL20044923 0.73 EPHX1 (0.38) EPHX1KDM4AKDM4CPAOXADRA1A
SCHEMBL22679356 0.73 PAOX (0.33) EPHX1KDM4AKDM4CPAOX
SCHEMBL24812346 0.73 PAOX (0.57) EPHX1KDM4AKDM4CPAOXADRA1A
SCHEMBL22954504 0.73 PAOX (0.57) EPHX1KDM4AKDM4CPAOXADRA1A
SCHEMBL18932735 0.73 PAOX (0.57) EPHX1KDM4AKDM4CPAOXADRA1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970334-B1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC (US) 2018-05-23 EP disclosed