SCHEMBL109847

SCHEMBL109847

C/C=C/C(=O)OCCNC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 6/20 0.39
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GSTP1 P09211 1/20 0.36
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TSHR P16473 4/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 1/20 0.30
TP53 P04637 1/20 0.30
HIF1A Q16665 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
SCHEMBL3268185 1.00 ATM (0.42) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL110356 0.88 ATM (0.48) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL109537 0.85 HCAR2 (0.46) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL26032208 0.83 HCAR2 (0.54) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL23830053 0.82 ATM (0.35) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL27716011 0.82 ATM (0.52) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL21636771 0.82 ATM (0.52) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL8673805 0.82 ATM (0.52) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL21082002 0.82 ATM (0.41) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL22912842 0.82 HCAR2 (0.62) ATMHCAR2MAPTRAB9ANPSR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed
EP-1329468-B1 WATER-DISPERSIBLE POLYISOCYANATE COMPOSITION, PROCESS FOR ITS PRODUCTION, WATER-BASE CURABLE COMPOSITION AND ITS APPLICATION DAINIPPON INK & CHEMICALS (JP) 2010-06-16 EP disclosed
US-7417090-B2 Water-dispersible polyisocyanate composition, production thereof, and water-based curable composition and application thereof DAINIPPON INK & CHEMICALS, INC. (JP) 2008-08-26 US disclosed
US-20070049691-A1 Water-dispersible polyisocyanate composition, production thereof, and water-based curable composition and application thereof DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-03-01 US disclosed
US-7166673-B2 Water-dispersible polyisocyanate composition, process for its production, water-base curable composition and its application DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-01-23 US disclosed
EP-1329468-A1 WATER-DISPERSIBLE POLYISOCYANATE COMPOSITION, PROCESS FOR ITS PRODUCTION, WATER-BASE CURABLE COMPOSITION AND ITS APPLICATION DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-23 EP disclosed
US-20030069353-A1 Water-dispersible polyisocyanate composition, process for its production, water-base curable composition and its application DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-04-10 US disclosed