SCHEMBL5050835

SCHEMBL5050835

C=C(C)C(=O)NCCC(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.47
TGFBR1 P36897 1/20 0.43
CYP1A2 P05177 1/20 0.42
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ANPEP P15144 3/20 0.36
RNPEP Q9H4A4 3/20 0.36
DNPEP Q9ULA0 2/20 0.36
ACE2 Q9BYF1 1/20 0.35
LTA4H P09960 1/20 0.34
GAA P10253 1/20 0.34
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL5050866 0.87 LTA4H (0.42) GABRR1TGFBR1CYP1A2BLMSMN1; SMN2
SCHEMBL3235398 0.82 ANPEP (0.52) TGFBR1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL1682417 0.80 TGFBR1 (0.46) GABRR1TGFBR1CYP1A2FOLH1NAALAD2
SCHEMBL157717 0.80 ALDH1A1 (0.45) TGFBR1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL24754803 0.79 GABRR1 (0.54) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL10187386 0.79 NOS2 (0.43) TGFBR1CYP1A2BLMANPEPRNPEP
SCHEMBL5722555 0.78 ANPEP (0.44) TGFBR1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL98539 0.78 TGFBR1 (0.38) TGFBR1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL10750333 0.77 ANPEP (0.36) TGFBR1SMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL13862893 0.77 TGFBR1 (0.43) TGFBR1CYP1A2SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102369240-B Composition comprising a benzophenone-containing (meth) acrylate polymer, preferably in admixture with a different (meth) acrylate polymer, as an aqueous dispersion and use of said composition EVONIK ROEHM GMBH 2014-01-08 CN disclosed
CN-102369240-A Composition comprising a benzophenone-containing (meth) acrylate polymer, preferably in admixture with a different (meth) acrylate polymer, as an aqueous dispersion and use of said composition EVONIK ROEHM GMBH 2012-03-07 CN disclosed
CN-101001912-B Nanosubstance-containing composition, method for producing same, and composite using same MITSUBISHI RAYON CO 2010-11-17 CN disclosed
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed
CN-101001912-A Nanosubstance-containing composition, method for producing same, and composite using same MITSUBISHI RAYON CO (JP) 2007-07-18 CN disclosed