SCHEMBL6936484

SCHEMBL6936484

CNC(=N)NCCCCCCOC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
ACHE P22303 12/20 0.43
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6410018 1.00 FAAH (0.44) FAAHACHEALDH1A1KDM4EMAPK1
SCHEMBL6408133 0.98 ALDH1A1 (0.44) FAAHACHEALDH1A1KDM4EMAPK1
SCHEMBL6408099 0.93 ALDH1A1 (0.45) FAAHACHEALDH1A1KDM4EMAPK1
SCHEMBL3928365 0.85 MEN1 (0.40) FAAHACHEALDH1A1KDM4EMAPK1
SCHEMBL6410426 0.81 FAAH (0.45) FAAHACHEALDH1A1KDM4EMAPK1
SCHEMBL6415654 0.81 FAAH (0.45) FAAHACHEALDH1A1KDM4EMAPK1
SCHEMBL9491670 0.80 KDM4E (0.67) FAAHACHEALDH1A1KDM4EMAPK1
SCHEMBL29315300 0.80 KDM4E (0.67) FAAHACHEALDH1A1KDM4EMAPK1
SCHEMBL7445070 0.80 KDM4E (0.67) FAAHACHEALDH1A1KDM4EMAPK1
SCHEMBL6410586 0.79 ALDH1A1 (0.46) FAAHACHEALDH1A1KDM4EMAPK1

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-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