SCHEMBL6938635

SCHEMBL6938635

COCCOCCOCCNC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DDAH1 O94760 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CA2 P00918 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 2/20 0.32
HIF1A Q16665 1/20 0.32
GAA P10253 1/20 0.31
EPHX2 P34913 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GLA P06280 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
THRB P10828 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
SCHEMBL4094463 1.00 MEN1 (0.38) MEN1KMT2ADDAH1SMN1; SMN2CA2
SCHEMBL27450339 0.88 ALDH1A1 (0.41) MEN1KMT2ADDAH1SMN1; SMN2CYP1A2
SCHEMBL395191 0.87
SCHEMBL12133997 0.85 MEN1 (0.34) MEN1KMT2ADDAH1SMN1; SMN2CA2
Hydrochloric Acid SCHEMBL395610 0.85
SCHEMBL3202861 0.83 MEN1 (0.38) MEN1KMT2ASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL4111815 0.83 MEN1 (0.38) MEN1KMT2ASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL4101199 0.83 MEN1 (0.41) MEN1KMT2ADDAH1SMN1; SMN2CA2
SCHEMBL12264175 0.83 MEN1 (0.41) MEN1KMT2ADDAH1SMN1; SMN2CA2
SCHEMBL4099879 0.83 MEN1 (0.41) MEN1KMT2ADDAH1SMN1; SMN2CA2

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