SCHEMBL113308

SCHEMBL113308

C/C=C/C(=O)NCCCCCNC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.47
ZDHHC20 Q5W0Z9 3/20 0.44
ZDHHC2 Q9UIJ5 3/20 0.44
EGFR P00533 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PYGL P06737 4/20 0.38
EPHX1 P07099 3/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL13314418 1.00 APEX1 (0.47) APEX1ZDHHC20ZDHHC2EGFRKDM4E
SCHEMBL157106 0.98 APEX1 (0.48) APEX1ZDHHC20ZDHHC2EGFRKDM4E
SCHEMBL109519 0.94 APEX1 (0.44) APEX1ZDHHC20ZDHHC2EGFRKDM4E
SCHEMBL22187118 0.92 APEX1 (0.51) APEX1ZDHHC20ZDHHC2EGFRKDM4E
SCHEMBL109577 0.85 SMN1; SMN2 (0.41) APEX1SMN1; SMN2ALDH1A1PYGLTAAR1
SCHEMBL21610956 0.85 APEX1 (0.49) APEX1ZDHHC20ZDHHC2EGFRKDM4E
SCHEMBL21731701 0.84 ZDHHC20 (0.63) APEX1ZDHHC20ZDHHC2EGFREPHX1
SCHEMBL85840 0.84 KDM4E (0.64) APEX1ZDHHC20ZDHHC2EGFRKDM4E
SCHEMBL19363595 0.84 ZDHHC20 (0.63) APEX1ZDHHC20ZDHHC2EGFREPHX1
SCHEMBL8511129 0.84 ZDHHC20 (0.63) APEX1ZDHHC20ZDHHC2EGFREPHX1

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