SCHEMBL112128

SCHEMBL112128

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.42
ZDHHC20 Q5W0Z9 3/20 0.41
ZDHHC2 Q9UIJ5 3/20 0.41
APEX1 P27695 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
EGFR P00533 1/20 0.39
EPHX2 P34913 2/20 0.35
EPHX1 P07099 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
SCHEMBL159564 0.98 ALDH1A1 (0.47) ALDH1A1KDM4EZDHHC20ZDHHC2APEX1
SCHEMBL109610 0.93 ALDH1A1 (0.53) ALDH1A1KDM4EZDHHC20ZDHHC2APEX1
SCHEMBL111071 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EZDHHC20ZDHHC2APEX1
SCHEMBL108803 0.85 KDM4E (0.56) ALDH1A1KDM4EZDHHC20ZDHHC2APEX1
SCHEMBL109535 0.83 ALDH1A1 (0.66) ALDH1A1KDM4EZDHHC20ZDHHC2APEX1
SCHEMBL110263 0.83 KDM4E (0.54) ALDH1A1KDM4EZDHHC20ZDHHC2APEX1
SCHEMBL14810910 0.83 KDM4E (0.54) ALDH1A1KDM4EZDHHC20ZDHHC2APEX1
SCHEMBL22187118 0.82 APEX1 (0.51) ALDH1A1KDM4EZDHHC20ZDHHC2APEX1
SCHEMBL109873 0.82 ZDHHC20 (0.64) ALDH1A1KDM4EZDHHC20ZDHHC2KDM5A
SCHEMBL4977496 0.80 ZDHHC20 (0.61) ALDH1A1KDM4EZDHHC20ZDHHC2KDM5A

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