SCHEMBL109873

SCHEMBL109873

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.64
ZDHHC2 Q9UIJ5 1/20 0.64
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
TGM2 P21980 2/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
EPHX1 P07099 4/20 0.36
EPHX2 P34913 2/20 0.36
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.35
DNM1 Q05193 1/20 0.35

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
SCHEMBL4977496 0.98 ZDHHC20 (0.61) ZDHHC20ZDHHC2KDM4EALDH1A1KDM5A
SCHEMBL111362 0.93 ZDHHC20 (0.58) ZDHHC20ZDHHC2KDM4EALDH1A1KDM5A
SCHEMBL18331464 0.90 ZDHHC20 (0.62) ZDHHC20ZDHHC2KDM4EALDH1A1TGM2
SCHEMBL17325028 0.88 ZDHHC20 (0.59) ZDHHC20ZDHHC2KDM4EALDH1A1KDM5A
SCHEMBL18331600 0.88 ZDHHC20 (0.59) ZDHHC20ZDHHC2KDM4EALDH1A1TGM2
SCHEMBL18331536 0.88 ZDHHC20 (0.59) ZDHHC20ZDHHC2KDM4EALDH1A1KDM5A
SCHEMBL18331525 0.88 ZDHHC20 (0.59) ZDHHC20ZDHHC2KDM4EALDH1A1KDM5A
SCHEMBL18331465 0.88 ZDHHC20 (0.59) ZDHHC20ZDHHC2KDM4EALDH1A1KDM5A
SCHEMBL109865 0.86 ZDHHC20 (0.52) ZDHHC20ZDHHC2KDM4EALDH1A1KDM5A
SCHEMBL18331462 0.86 ZDHHC20 (0.56) ZDHHC20ZDHHC2KDM4EALDH1A1KDM5A

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