SCHEMBL6935678

SCHEMBL6935678

COCCCCCN=C(N)N

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
DHPS P49366 1/20 0.54
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
DDAH1 O94760 1/20 0.46

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
SCHEMBL6936355 0.98 MEN1 (0.54) MEN1KMT2ADHPSCYP1A2ALOX15
SCHEMBL1427272 0.91
SCHEMBL4113473 0.80
SCHEMBL1736310 0.80 DHPS (0.78) MEN1KMT2ADHPSCYP1A2ALOX15
Synthalin SCHEMBL9948763 0.77 DHPS (0.74) MEN1KMT2ADHPSCYP1A2ALOX15
Hydrochloric Acid SCHEMBL21715459 0.77 DHPS (0.74) MEN1KMT2ADHPSCYP1A2ALOX15
Hydrochloric Acid SCHEMBL3139421 0.77 DHPS (0.74) MEN1KMT2ADHPSCYP1A2ALOX15
Arcaine SCHEMBL1737639 0.77 CYP1A2 (0.77) MEN1KMT2ADHPSCYP1A2ALOX15
SCHEMBL7067352 0.75 ALDH1A1 (0.44) DDAH1
Synthalin SCHEMBL873155 0.75 DHPS (0.70) MEN1KMT2ADHPSCYP1A2ALOX15

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