SCHEMBL6441315

SCHEMBL6441315

CC1(C)C(C(=O)O)C1C(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
EPHX1 P07099 2/20 0.40
CYP2C19 P33261 1/20 0.38
NAAA Q02083 2/20 0.37
HTT P42858 1/20 0.36
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL1072705 0.79 EPHX1 (0.35) FABP7FABP5EPHX1CYP2C19NAAA
SCHEMBL1073625 0.78 EPHX1 (0.37) FABP7FABP5EPHX1CYP2C19NAAA
SCHEMBL1073627 0.78 EPHX1 (0.37) FABP7FABP5EPHX1CYP2C19NAAA
SCHEMBL1150119 0.77 EPHX1 (0.39) FABP7FABP5EPHX1CYP2C19NAAA
SCHEMBL1150124 0.77 EPHX1 (0.39) FABP7FABP5EPHX1CYP2C19NAAA
SCHEMBL1150121 0.77 EPHX1 (0.39) FABP7FABP5EPHX1CYP2C19NAAA
SCHEMBL2127188 0.76 CYP2C19 (0.42) FABP7FABP5EPHX1CYP2C19NAAA
SCHEMBL11041005 0.76 EPHX1 (0.35) FABP7FABP5EPHX1CYP2C19NAAA
SCHEMBL4989860 0.75 EPHX1 (0.37) FABP7FABP5EPHX1CYP2C19NAAA
SCHEMBL4989852 0.75 EPHX1 (0.37) FABP7FABP5EPHX1CYP2C19NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101100429-B Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO 2011-01-19 CN disclosed
CN-100402474-C Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO (JP) 2008-07-16 CN disclosed
CN-101100429-A Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY LIMT (JP) 2008-01-09 CN disclosed
EP-1188735-B1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO (JP) 2005-07-27 EP disclosed
US-20040152592-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMTED 2004-08-05 US disclosed
US-6703528-B2 CATALYTIC OXIDATION OF OLEFIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-09 US disclosed
CN-1347861-A Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO (JP) 2002-05-08 CN disclosed
EP-1188735-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-20 EP disclosed
US-20020025906-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-28 US disclosed