SCHEMBL109535

SCHEMBL109535

C/C=C/C(=O)NCCCCN(CC)CC

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
APEX1 P27695 1/20 0.43
PAOX Q6QHF9 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL110495 0.95 ALDH1A1 (0.73) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL109196 0.87 ALDH1A1 (0.57) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL16908424 0.85 ALDH1A1 (0.59) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL159564 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2APEX1ZDHHC20
SCHEMBL112128 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EAPEX1ZDHHC20ZDHHC2
SCHEMBL110263 0.82 KDM4E (0.54) ALDH1A1KDM4EHPGDAPEX1PAOX
SCHEMBL14810910 0.82 KDM4E (0.54) ALDH1A1KDM4EHPGDAPEX1PAOX
SCHEMBL22187118 0.81 APEX1 (0.51) ALDH1A1KDM4ESMN1; SMN2APEX1ZDHHC20
SCHEMBL108803 0.81 KDM4E (0.56) ALDH1A1KDM4EHPGDAPEX1PAOX
SCHEMBL110266 0.81 ZDHHC20 (0.62) ALDH1A1GAAKDM4EHPGDSMN1; SMN2

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