SCHEMBL6938637

SCHEMBL6938637

COCCOCCOCCN=C(N)N

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.37
NOS2 P35228 3/20 0.37
NOS3 P29474 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CA2 P00918 1/20 0.34
DDAH1 O94760 1/20 0.34
DHPS P49366 1/20 0.33

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
SCHEMBL4094464 1.00 NOS1 (0.37) NOS1NOS2NOS3MEN1KMT2A
SCHEMBL4113473 0.85
SCHEMBL31373292 0.84 NOS3 (0.40) NOS1NOS2NOS3CA2DDAH1
Bromide SCHEMBL9641038 0.83 NOS3 (0.35) NOS1NOS2NOS3CA2DDAH1
SCHEMBL2730996 0.82 MEN1 (0.41) NOS1NOS2NOS3MEN1KMT2A
SCHEMBL4111817 0.82 MEN1 (0.41) NOS1NOS2NOS3MEN1KMT2A
Hydrochloric Acid SCHEMBL1479729 0.80 MEN1 (0.40) NOS1NOS2NOS3MEN1KMT2A
Water SCHEMBL3262698 0.80 MEN1 (0.40) NOS1NOS2NOS3MEN1KMT2A
Hydrochloric Acid SCHEMBL17156891 0.80 MEN1 (0.40) NOS1NOS2NOS3MEN1KMT2A
SCHEMBL6412595 0.79 MEN1 (0.52) NOS1NOS2NOS3MEN1KMT2A

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