SCHEMBL6938191

SCHEMBL6938191

COCCCCN(C)C(=N)N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HRH4 Q9H3N8 2/20 0.31
CYP1A2 P05177 1/20 0.31
HRH2 P25021 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6936382 0.98 NOS3 (0.43) NOS3NOS1NOS2HSD17B10ALDH1A1
SCHEMBL6935827 0.98 NOS3 (0.43) NOS3NOS1NOS2HSD17B10ALDH1A1
SCHEMBL4108409 0.94 NOS3 (0.46) NOS3NOS1NOS2HSD17B10ALDH1A1
SCHEMBL9059935 0.85
SCHEMBL4100883 0.85
SCHEMBL6936367 0.81 ALDH1A1 (0.34) HSD17B10ALDH1A1HRH4
SCHEMBL6933983 0.79 ALDH1A1 (0.38) HSD17B10ALDH1A1HRH4
SCHEMBL6935859 0.79 ALDH1A1 (0.38) HSD17B10ALDH1A1HRH4
SCHEMBL4102013 0.78 NOS3 (0.36) NOS3NOS1NOS2
SCHEMBL4112943 0.78 NOS3 (0.36) NOS3NOS1NOS2

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 6 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
US-6187955-B1 A MOISTURIZER FOR SOFTENING SKINS; USEFUL AS COMPONENTS OF COSMETIC FORMULATIONS KAO CORPORATION (JP) 2001-02-13 US disclosed
US-5723133-A GUANIDINE WITH ORGANIC ACID FOR SKIN SOFTENING KAO CORPORATION (JP) 1998-03-03 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