SCHEMBL109610

SCHEMBL109610

C/C=C/C(=O)NCCCN(C)CC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
APEX1 P27695 1/20 0.40
KDM4E B2RXH2 4/20 0.40
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 2/20 0.36
DNM1 Q05193 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MAPT P10636 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
SCHEMBL159564 0.95 ALDH1A1 (0.47) ALDH1A1APEX1KDM4EKDM5AKDM4C
SCHEMBL112128 0.93 ALDH1A1 (0.46) ALDH1A1APEX1KDM4EKDM5AKDM4C
SCHEMBL111071 0.89 ALDH1A1 (0.44) ALDH1A1APEX1KDM4EKDM5AKDM4C
SCHEMBL110495 0.84 ALDH1A1 (0.73) ALDH1A1APEX1KDM4EHPGDSMN1; SMN2
SCHEMBL5557905 0.84 KDM4E (0.54) ALDH1A1APEX1KDM4EHPGDDNM1
SCHEMBL109864 0.84 KDM4E (0.54) ALDH1A1APEX1KDM4EHPGDDNM1
Hydrochloric Acid SCHEMBL11070508 0.82 KDM4E (0.53) ALDH1A1APEX1KDM4EHPGDDNM1
SCHEMBL16908424 0.82 ALDH1A1 (0.59) ALDH1A1APEX1KDM4EHPGDSMN1; SMN2
SCHEMBL15830092 0.82 ALDH1A1 (0.42) ALDH1A1APEX1KDM4EHPGDSMN1; SMN2
SCHEMBL111362 0.81 ZDHHC20 (0.58) ALDH1A1KDM4EKDM5AKDM4CHPGD

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