SCHEMBL6936382

SCHEMBL6936382

COCCCCCN(C)C(=N)N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.31
HRH2 P25021 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRSS1 P07477 1/20 0.30

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
SCHEMBL6935827 1.00 NOS3 (0.43) NOS3NOS1NOS2ALDH1A1HSD17B10
SCHEMBL6938191 0.98 NOS3 (0.44) NOS3NOS1NOS2ALDH1A1HSD17B10
SCHEMBL4108409 0.92 NOS3 (0.46) NOS3NOS1NOS2ALDH1A1HSD17B10
SCHEMBL9059935 0.83
SCHEMBL4100883 0.83
SCHEMBL6935859 0.82 ALDH1A1 (0.38) ALDH1A1HSD17B10HRH4PRSS1
SCHEMBL6933983 0.82 ALDH1A1 (0.38) ALDH1A1HSD17B10HRH4PRSS1
SCHEMBL6936367 0.79 ALDH1A1 (0.34) ALDH1A1HSD17B10HRH4
SCHEMBL6936481 0.78 NOS3 (0.46) NOS3NOS1NOS2ALDH1A1HSD17B10
SCHEMBL6410016 0.78 NOS3 (0.46) NOS3NOS1NOS2ALDH1A1HSD17B10

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
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