SCHEMBL108803

SCHEMBL108803

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
DNM1 Q05193 1/20 0.44
APEX1 P27695 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PAOX Q6QHF9 1/20 0.42
HPGD P15428 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
TSHR P16473 1/20 0.39
CBLB Q13191 1/20 0.39
EGFR P00533 1/20 0.39
FOXO1 Q12778 1/20 0.38
KDM4A O75164 3/20 0.38
KDM4C Q9H3R0 3/20 0.38
KDM5A P29375 1/20 0.38
KDM7A Q6ZMT4 1/20 0.38
PHF8 Q9UPP1 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
SCHEMBL110263 0.98 KDM4E (0.54) KDM4EDNM1APEX1ALDH1A1MEN1
SCHEMBL14810910 0.98 KDM4E (0.54) KDM4EDNM1APEX1ALDH1A1MEN1
SCHEMBL109864 0.93 KDM4E (0.54) KDM4EDNM1APEX1ALDH1A1MEN1
SCHEMBL5557905 0.93 KDM4E (0.54) KDM4EDNM1APEX1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL11070508 0.91 KDM4E (0.53) KDM4EDNM1APEX1ALDH1A1MEN1
SCHEMBL22187118 0.87 APEX1 (0.51) KDM4EAPEX1ALDH1A1ZDHHC20ZDHHC2
SCHEMBL108355 0.85 DNM1 (0.42) KDM4EDNM1APEX1ALDH1A1MEN1
SCHEMBL11436694 0.85 DNM1 (0.42) KDM4EDNM1APEX1ALDH1A1MEN1
SCHEMBL112128 0.85 ALDH1A1 (0.46) KDM4EAPEX1ALDH1A1ZDHHC20ZDHHC2
SCHEMBL159564 0.83 ALDH1A1 (0.47) KDM4EAPEX1ALDH1A1ZDHHC20ZDHHC2

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