SCHEMBL1024005

SCHEMBL1024005

C=CCOC(C)=C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
RHOA P61586 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL465993 1.00 TSHR (0.40) TSHRCYP3A4TDP1PKMSMN1; SMN2
SCHEMBL9425943 0.81 MAPT (0.43) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL1903080 0.81 TSHR (0.39) TSHRCYP3A4TDP1PKMSMN1; SMN2
SCHEMBL6901037 0.78 TSHR (0.41) TSHRCYP3A4TDP1PKMSMN1; SMN2
SCHEMBL8947031 0.78 TSHR (0.41) TSHRCYP3A4TDP1PKMSMN1; SMN2
Bicarbonate SCHEMBL30668283 0.77 TSHR (0.42) TSHRCYP3A4TDP1PKMSMN1; SMN2
SCHEMBL22042683 0.76 TSHR (0.40) TSHRCYP3A4TDP1SMN1; SMN2MAPT
SCHEMBL20819805 0.75 TSHR (0.46) TSHRCYP3A4TDP1PKMSMN1; SMN2
Acetic Acid SCHEMBL9008670 0.75 TSHR (0.44) TSHRCYP3A4TDP1PKMSMN1; SMN2
Acetic Acid SCHEMBL10442422 0.75 TSHR (0.44) TSHRCYP3A4TDP1PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396350-B1 METHOD FOR SYNTHESIZING IMPROVED BINDERS HAVING A DEFINED GRAIN SIZE DISTRIBUTION EVONIK ROEHM GMBH (DE) 2014-03-12 EP disclosed
EP-2049574-B1 USE OF A SULFUR COMPOUND FOR PREPARING HALOGEN-FREE ATRP PRODUCTS EVONIK ROEHM GMBH (DE) 2012-09-05 EP disclosed
EP-2396350-A1 METHOD FOR SYNTHESIZING IMPROVED BINDERS HAVING A DEFINED GRAIN SIZE DISTRIBUTION Evonik Röhm GmbH (DE) 2011-12-21 EP disclosed
EP-2276817-A1 SYNTHESIS OF IMPROVED BINDERS AND MODIFIED TACTICITY Evonik Röhm GmbH (DE) 2011-01-26 EP disclosed
EP-2049575-B1 PROCESS FOR PREPARING HYDROXY-TELECHELIC ATRP PRODUCTS EVONIK ROEHM GMBH (DE) 2011-01-12 EP disclosed
WO-2010091919-A1 METHOD FOR SYNTHESIZING IMPROVED BINDERS HAVING A DEFINED GRAIN SIZE DISTRIBUTION EVONIK RÖHM GMBH (DE) 2010-08-19 WO disclosed
EP-2132236-A1 METHOD FOR THE PRODUCTION OF TELECHELIC POLYMERS Evonik Röhm GmbH (DE) 2009-12-16 EP disclosed
WO-2009121640-A1 SYNTHESIS OF IMPROVED BINDERS AND MODIFIED TACTICITY EVONIK RÖHM GMBH (DE) 2009-10-08 WO disclosed
EP-2079764-A1 METHOD FOR PRODUCING SILYL TELECHELIC POLYMERS Evonik Röhm GmbH (DE) 2009-07-22 EP disclosed
EP-2049576-A1 PROCESS FOR PREPARING ACID-TERMINATED ATRP PRODUCTS Evonik Röhm GmbH (DE) 2009-04-22 EP disclosed
EP-2049575-A1 PROCESS FOR PREPARING HYDROXY-TELECHELIC ATRP PRODUCTS Evonik Röhm GmbH (DE) 2009-04-22 EP disclosed
EP-2049574-A1 PROCESS FOR PREPARING HALOGEN-FREE ATRP PRODUCTS Evonik Röhm GmbH (DE) 2009-04-22 EP disclosed
EP-2001914-A1 COPPER REMOVAL FROM ATRP PRODUCTS BY MEANS OF ADDITION OF SULFUR COMPOUNDS Evonik Röhm GmbH (DE) 2008-12-17 EP disclosed
WO-2008092515-A1 METHOD FOR THE PRODUCTION OF TELECHELIC POLYMERS EVONIK RÖHM GMBH (DE) 2008-08-07 WO disclosed
WO-2008043583-A1 METHOD FOR PRODUCING SILYL TELECHELIC POLYMERS EVONIK RÖHM GMBH (DE) 2008-04-17 WO disclosed
WO-2008017522-A1 PROCESS FOR PREPARING HYDROXY-TELECHELIC ATRP PRODUCTS EVONIK RÖHM GMBH (DE) 2008-02-14 WO disclosed
WO-2008017523-A1 PROCESS FOR PREPARING HALOGEN-FREE ATRP PRODUCTS EVONIK RÖHM GMBH (DE) 2008-02-14 WO disclosed
WO-2008017524-A1 PROCESS FOR PREPARING ACID-TERMINATED ATRP PRODUCTS EVONIK RÖHM GMBH (DE) 2008-02-14 WO disclosed
WO-2007115848-A1 COPPER REMOVAL FROM ATRP PRODUCTS BY MEANS OF ADDITION OF SULFUR COMPOUNDS EVONIK RÖHM GMBH (DE) 2007-10-18 WO disclosed