SCHEMBL108755

SCHEMBL108755

C=CC(=O)NCCCCCNCC

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.72
ZDHHC2 Q9UIJ5 1/20 0.72
KDM1A O60341 3/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TGM2 P21980 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
PAOX Q6QHF9 1/20 0.41
GAA P10253 1/20 0.41
EPHX1 P07099 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HIF1A Q16665 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL10382235 1.00 ZDHHC20 (0.72) ZDHHC20ZDHHC2KDM1AMAPK1ALDH1A1
SCHEMBL109832 0.98 ZDHHC20 (0.69) ZDHHC20ZDHHC2KDM1AMAPK1ALDH1A1
SCHEMBL109531 0.94 ZDHHC20 (0.63) ZDHHC20ZDHHC2KDM1AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6762337 0.92 ZDHHC20 (0.61) ZDHHC20ZDHHC2KDM1AMAPK1ALDH1A1
SCHEMBL8004880 0.87 ZDHHC20 (0.56) ZDHHC20ZDHHC2KDM1AMAPK1ALDH1A1
SCHEMBL3282422 0.87 ZDHHC20 (0.89) ZDHHC20ZDHHC2ALDH1A1TSHRPAOX
SCHEMBL34665 0.86 ZDHHC20 (0.57) ZDHHC20ZDHHC2KDM1AMAPK1ALDH1A1
SCHEMBL270209 0.85 ZDHHC20 (0.79) ZDHHC20ZDHHC2MAPK1ALDH1A1TSHR
SCHEMBL269468 0.85 ZDHHC20 (0.79) ZDHHC20ZDHHC2MAPK1ALDH1A1TSHR
SCHEMBL58169 0.85 ZDHHC20 (0.79) ZDHHC20ZDHHC2MAPK1ALDH1A1TSHR

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