SCHEMBL107894

SCHEMBL107894

C=C(C)C(=O)NCCCCCNCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
EPHX1 P07099 5/20 0.41
KDM1A O60341 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
PLA2G2A P14555 1/20 0.39
TSHR P16473 1/20 0.38
CASP2 P42575 1/20 0.37
ADRA1A P35348 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
SCHEMBL110493 0.98 PAOX (0.47) PAOXKDM4EMAPK1HIF1ACYP2C19
SCHEMBL112008 0.94 CYP2C19 (0.46) PAOXKDM4EMAPK1HIF1ACYP2C19
Hydrochloric Acid SCHEMBL31441106 0.92 CYP2C19 (0.44) PAOXKDM4EMAPK1HIF1ACYP2C19
SCHEMBL8775285 0.88 KDM4E (0.56) PAOXKDM4EMAPK1HIF1AEPHX1
SCHEMBL8775294 0.88 KDM4E (0.56) PAOXKDM4EMAPK1HIF1AEPHX1
SCHEMBL8775499 0.88 KDM4E (0.56) PAOXKDM4EMAPK1HIF1AEPHX1
SCHEMBL8774992 0.88 KDM4E (0.56) PAOXKDM4EMAPK1HIF1AEPHX1
SCHEMBL8775297 0.88 KDM4E (0.56) PAOXKDM4EMAPK1HIF1AEPHX1
SCHEMBL59429 0.88 KDM4E (0.56) PAOXKDM4EMAPK1HIF1AEPHX1
SCHEMBL7612872 0.87 PAOX (0.63) PAOXKDM4EMAPK1HIF1AEPHX1

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