SCHEMBL108392

SCHEMBL108392

C=C(C)C(=O)NCCCCCN(C)CC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
EPHX1 P07099 5/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
PAOX Q6QHF9 3/20 0.35
PLA2G2A P14555 1/20 0.35
DNM1 Q05193 1/20 0.35
APP P05067 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL111490 0.98 KDM5A (0.41) KDM5AKDM4CKDM4EMAPK1HIF1A
SCHEMBL111983 0.93 KDM4E (0.41) KDM5AKDM4CKDM4EMAPK1HIF1A
SCHEMBL28283791 0.89 EPHX1 (0.47) KDM5AKDM4CEPHX1ZDHHC20ZDHHC2
SCHEMBL18331470 0.88 KDM4E (0.41) KDM5AKDM4CKDM4EMAPK1HIF1A
SCHEMBL18331526 0.88 KDM4E (0.41) KDM5AKDM4CKDM4EMAPK1HIF1A
SCHEMBL18331469 0.88 KDM4E (0.41) KDM5AKDM4CKDM4EMAPK1HIF1A
SCHEMBL18331532 0.88 KDM4E (0.41) KDM5AKDM4CKDM4EMAPK1HIF1A
Bromide SCHEMBL28491945 0.87 EPHX1 (0.46) KDM5AKDM4CEPHX1ZDHHC20ZDHHC2
SCHEMBL109244 0.86 KDM5A (0.34) KDM5AKDM4CKDM4EDNM1
SCHEMBL18331463 0.86 KDM4E (0.42) KDM5AKDM4CKDM4EMAPK1HIF1A

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-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed