SCHEMBL20044923

SCHEMBL20044923

C=C/C=C(\C)CCCCCNC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
PAOX Q6QHF9 1/20 0.37
KDM4A O75164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ADRA1A P35348 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
SCHEMBL18608864 0.83
SCHEMBL19724804 0.82 EPHX1 (0.39) EPHX1PAOXKDM4AKDM4CADRA1A
SCHEMBL24063005 0.79 EPHX1 (0.40) EPHX1KDM4AKDM4C
SCHEMBL19020687 0.79 EPHX1 (0.44) EPHX1PAOXKDM4AKDM4CADRA1A
SCHEMBL22047297 0.78 EPHX1 (0.39) EPHX1PAOXKDM4AKDM4C
SCHEMBL22679356 0.76 PAOX (0.33) EPHX1PAOXKDM4AKDM4C
SCHEMBL11073653 0.75 MAPT (0.48)
SCHEMBL25862191 0.74 EPHX1 (0.34) EPHX1
SCHEMBL20171025 0.73 EPHX1 (0.39) EPHX1PAOXKDM4AKDM4CADRA1A
SCHEMBL27446472 0.72 EPHX1 (0.34) EPHX1PAOXKDM4AKDM4C

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
WO-2018065450-A1 FLEXIBLE AND MULTI-FUNCTIONAL COACERVATES AND HYDROGEL MATERIALS AARHUS UNIVERSITET (DK) 2018-04-12 WO disclosed