SCHEMBL6935591

SCHEMBL6935591

[CH2]CCCCCNC(=N)NC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 4/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL6411477 0.98 MEN1 (0.31) KDM4EMAPK1HIF1AMEN1CYP1A2
SCHEMBL347908 0.91
SCHEMBL12157013 0.82 EPHX1 (0.44) KDM4EMAPK1HIF1AMEN1CYP1A2
SCHEMBL20036359 0.82 EPHX1 (0.44) KDM4EMAPK1HIF1AMEN1CYP1A2
SCHEMBL349640 0.81
SCHEMBL24018755 0.80 KDM4E (0.41) KDM4EMAPK1HIF1AMEN1CYP1A2
SCHEMBL4109571 0.80 EPHX1 (0.52) EPHX1ZDHHC20ZDHHC2
SCHEMBL9973238 0.80 EPHX1 (0.52) EPHX1ZDHHC20ZDHHC2
SCHEMBL4098965 0.80 EPHX1 (0.52) EPHX1ZDHHC20ZDHHC2
SCHEMBL10045217 0.80 KDM1A (0.47) KDM4EMAPK1HIF1AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805674-B1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORP (JP) 2003-03-12 EP disclosed
US-6348200-B1 OXYALKYLAMIDE OR AMINE DERIVATIVES;AT LEAST ONE OF POLYHYDRIC ALCOHOLS, OR VEGETABLE EXTRACTS, OR ORGANIC ACIDS; IMPROVES WATER-RETAINING ABILITY OF HORNY LAYER, CURES ROUGHNESS AND PREVENTS WRINKLES KAO CORPORATION (JP) 2002-02-19 US disclosed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP disclosed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 WO disclosed