SCHEMBL586330

SCHEMBL586330

Cc1ccc(C=O)cc1.[KH]

nearest known ligand 0.94

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.94
ALDH1A1 P00352 6/20 0.50
TYR P14679 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
CYP2A13 Q16696 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A3 P47895 2/20 0.46
ALDH3A1 P30838 1/20 0.46
NFE2L2 Q16236 1/20 0.44
FBP1 P09467 1/20 0.43

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
P-Xylene SCHEMBL10939332 0.97 CYP2A6 (1.00) CYP2A6ALDH1A1TYRHSD17B10ALDH5A1
SCHEMBL29171 0.97
SCHEMBL8469408 0.97 CYP2A6 (1.00) CYP2A6ALDH1A1TYRHSD17B10ALDH5A1
SCHEMBL28788188 0.94
SCHEMBL28981619 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1TYRHSD17B10ALDH5A1
Iodide SCHEMBL34461933 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1TYRHSD17B10ALDH5A1
Hydrochloric Acid SCHEMBL14686576 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1TYRHSD17B10ALDH5A1
SCHEMBL586152 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1TYRHSD17B10ALDH5A1
SCHEMBL585055 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1TYRHSD17B10ALDH5A1
Water SCHEMBL28202451 0.94 CYP2A6 (0.94) CYP2A6ALDH1A1TYRHSD17B10ALDH5A1

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
US-8119749-B2 Method of taking (meth)acrylic ester polymer out of liquid reaction mixture KURARAY CO., LTD. (JP) 2012-02-21 US disclosed
EP-1916262-B1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE KURARAY CO (JP) 2012-02-15 EP disclosed
US-7973117-B2 Milder temperatures, higher speed; controlled molecular weight and narrow distribution thermoplastic elastomers KURARAY CO., LTD. (JP) 2011-07-05 US disclosed
US-20090118450-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE KURARAY CO., LTD. (JP) 2009-05-07 US disclosed
EP-1780222-B1 PROCESS FOR CONTINUOUSLY PRODUCING (METH)ACRYLIC ESTER POLYMER OR COPOLYMER KURARAY CO (JP) 2008-11-26 EP disclosed
US-20080139759-A1 Process For Continuously Producing (Meth)Acrylic Ester Polymer or Copolymer KURARAY CO., LTD. (JP) 2008-06-12 US disclosed
EP-1916262-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE Kuraray Co., Ltd. (JP) 2008-04-30 EP disclosed
EP-1780222-A1 PROCESS FOR CONTINUOUSLY PRODUCING (METH)ACRYLIC ESTER POLYMER OR COPOLYMER KURARAY CO., LTD. (JP) 2007-05-02 EP disclosed