SCHEMBL3788751

SCHEMBL3788751

CCCOC(C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
FFAR3 O14843 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP2C19 P33261 1/20 0.34
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PGD P52209 1/20 0.32

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
SCHEMBL2015252 0.87 GPR84 (0.42) GPR84TDP1SLC22A6HCAR2
SCHEMBL28521529 0.87 GPR84 (0.42) GPR84TDP1SLC22A6HCAR2
SCHEMBL7932807 0.86 SLC22A6 (0.35) TDP1SLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL9472210 0.86 SLC22A6 (0.35) TDP1SLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL8414191 0.84 TDP1 (0.32) TDP1FFAR3HDAC3HDAC1HDAC2
SCHEMBL8155489 0.82 SLC22A6 (0.35) TDP1SLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL156206 0.81
SCHEMBL5666813 0.81 ALDH1A1 (0.42) TDP1SLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL4782579 0.81 TSHR (0.41) GPR84HSD17B10
SCHEMBL7619137 0.80 TDP1 (0.35) TDP1HSD17B10

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-0988362-B1 CARPET CLEANING COMPOSITIONS AND METHOD FOR CLEANING CARPETS PROCTER & GAMBLE (US) 2002-12-11 EP claimed
CN-104808439-B Photoresist composition and method for manufacturing thin film transistor substrate 三星显示有限公司 2019-12-31 CN disclosed
EP-2170984-A1 HYDROPHILIC HARDCOAT COATINGS Bayer MaterialScience AG (DE) 2010-04-07 EP disclosed
WO-2009010193-A1 HYDROPHILIC HARDCOAT COATINGS BAYER MATERIALSCIENCE AG (DE) 2009-01-22 WO disclosed
US-20050042536-A1 Photosensitive resin composition comprising quinonediazide sulfate ester compound DONGJIN SEMICHEM CO. LTD. (KR) 2005-02-24 US disclosed
WO-2003036388-A1 PHOTOSNESITIVE RESIN COMPOSITION COMPRISING QUINONEDIAZIDE SULFATE ESTER COMPOUND DONGJIN SEMICHEM CO., LTD. (KR) 2003-05-01 WO disclosed