SCHEMBL109309

SCHEMBL109309

C/C=C/C(=O)NCCCCCNCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.46
ZDHHC2 Q9UIJ5 3/20 0.46
APEX1 P27695 1/20 0.44
KDM1A O60341 3/20 0.44
EGFR P00533 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
PAOX Q6QHF9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 2/20 0.40
EPHX1 P07099 4/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL112614 0.98 APEX1 (0.46) ZDHHC20ZDHHC2APEX1KDM1AEGFR
SCHEMBL110687 0.94 CYP2C19 (0.44) ZDHHC20ZDHHC2APEX1KDM1AEGFR
SCHEMBL22187118 0.88 APEX1 (0.51) ZDHHC20ZDHHC2APEX1EGFRALDH1A1
SCHEMBL111177 0.86 SMN1; SMN2 (0.40) ZDHHC20ZDHHC2APEX1KDM1AEGFR
SCHEMBL22291562 0.86 ZDHHC20 (0.56) ZDHHC20ZDHHC2EGFRPAOXALDH1A1
SCHEMBL21731701 0.85 ZDHHC20 (0.63) ZDHHC20ZDHHC2APEX1EGFREPHX1
SCHEMBL8511129 0.85 ZDHHC20 (0.63) ZDHHC20ZDHHC2APEX1EGFREPHX1
SCHEMBL19363595 0.85 ZDHHC20 (0.63) ZDHHC20ZDHHC2APEX1EGFREPHX1
SCHEMBL7532607 0.82 ZDHHC20 (0.60) ZDHHC20ZDHHC2APEX1EGFREPHX1
SCHEMBL7532604 0.82 ZDHHC20 (0.60) ZDHHC20ZDHHC2APEX1EGFREPHX1

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