SCHEMBL110495

SCHEMBL110495

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

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PAOX Q6QHF9 1/20 0.44
LMNA P02545 3/20 0.41
APEX1 P27695 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 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
SCHEMBL109535 0.95 ALDH1A1 (0.66) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL16908424 0.91 ALDH1A1 (0.59) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL109196 0.89 ALDH1A1 (0.57) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL109610 0.84 ALDH1A1 (0.53) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL5557905 0.81 KDM4E (0.54) ALDH1A1KDM4EHPGDPAOXAPEX1
SCHEMBL109864 0.81 KDM4E (0.54) ALDH1A1KDM4EHPGDPAOXAPEX1
SCHEMBL21610956 0.80 APEX1 (0.49) ALDH1A1KDM4ESMN1; SMN2LMNAAPEX1
SCHEMBL109564 0.80 ALDH1A1 (0.65) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL11070508 0.80 KDM4E (0.53) ALDH1A1KDM4EHPGDPAOXAPEX1
SCHEMBL159564 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2APEX1ZDHHC20

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014100719-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
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