SCHEMBL112614

SCHEMBL112614

C/C=C/C(=O)NCCCCNCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.46
ZDHHC20 Q5W0Z9 3/20 0.43
ZDHHC2 Q9UIJ5 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
PAOX Q6QHF9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM1A O60341 3/20 0.41
EGFR P00533 1/20 0.41
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.38
APP P05067 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL109309 0.98 ZDHHC20 (0.46) APEX1ZDHHC20ZDHHC2CYP2C19CYP1A2
SCHEMBL110687 0.96 CYP2C19 (0.44) APEX1ZDHHC20ZDHHC2CYP2C19CYP1A2
SCHEMBL111177 0.88 SMN1; SMN2 (0.40) APEX1ZDHHC20ZDHHC2CYP2C19ALDH1A1
SCHEMBL22187118 0.86 APEX1 (0.51) APEX1ZDHHC20ZDHHC2ALDH1A1EGFR
SCHEMBL7532607 0.84 ZDHHC20 (0.60) APEX1ZDHHC20ZDHHC2EGFRMAPT
SCHEMBL7532604 0.84 ZDHHC20 (0.60) APEX1ZDHHC20ZDHHC2EGFRMAPT
SCHEMBL22291562 0.84 ZDHHC20 (0.56) ZDHHC20ZDHHC2PAOXALDH1A1EGFR
SCHEMBL21610956 0.83 APEX1 (0.49) APEX1ZDHHC20ZDHHC2ALDH1A1EGFR
SCHEMBL21731701 0.82 ZDHHC20 (0.63) APEX1ZDHHC20ZDHHC2EGFRAPP
SCHEMBL19363595 0.82 ZDHHC20 (0.63) APEX1ZDHHC20ZDHHC2EGFRAPP

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