SCHEMBL27603887

SCHEMBL27603887

CCC(CC(=O)OC)C(=O)OC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
NAAA Q02083 2/20 0.43
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 2/20 0.38
EPHX2 P34913 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA1A P35348 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CACNA1B Q00975 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
CA1 P00915 1/20 0.34

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
SCHEMBL17675456 0.90 NAAA (0.49) EPHX1NAAACYP2C19L3MBTL1HTT
SCHEMBL17675498 0.90 NAAA (0.49) EPHX1NAAACYP2C19L3MBTL1HTT
SCHEMBL17675598 0.89 NAAA (0.47) EPHX1NAAACYP2C19L3MBTL1HTT
SCHEMBL2857853 0.88 CYP2D6 (0.46) EPHX1NAAACYP2C19L3MBTL1HTT
SCHEMBL27812170 0.86 CYP2D6 (0.47) EPHX1NAAACYP2C19L3MBTL1HTT
SCHEMBL5827222 0.85 EPHX1 (0.52) EPHX1NAAACYP2C19L3MBTL1HTT
SCHEMBL17376888 0.84 L3MBTL1 (0.50) EPHX1NAAACYP2C19L3MBTL1HTT
SCHEMBL14875486 0.83 EPHX1 (0.48) EPHX1NAAACYP2C19L3MBTL1HTT
SCHEMBL2855758 0.80 CYP2D6 (0.43) NAAACHRM2CHRM1CHRM3ADRA1A
SCHEMBL12410096 0.80 EPHX1 (0.41) EPHX1NAAACYP2C19L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102627712-B Preparation method and application of Ziegler Natta catalyst for propylene polymerization CHANGCHUN APPLIED CHEMISTRY 2014-02-12 CN claimed
CN-102781970-B Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2015-08-12 CN disclosed
CN-104736627-A Propylene resin composition for retort pouch-packaging film SUN ALLOMER LTD 2015-06-24 CN disclosed
CN-104479055-A Dialkoxymagnesium support type solid catalyst component and catalyst RENQIU LIHE TECHNOLOGY DEV CO LTD 2015-04-01 CN disclosed
CN-104109212-A Solid catalyst component used for olefin polymerization and catalyst BEIJING LIHE ZHIXIN TECHNOLOGY CO LTD 2014-10-22 CN disclosed
CN-104045748-A Solid catalyst component for olefin polymerization and catalyst BEIJING LIHE ZHIXIN TECHNOLOGY LTD 2014-09-17 CN disclosed
CN-102643370-B Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA 2014-08-13 CN disclosed
CN-103936892-A Solid catalyst component for olefin polymerization and catalyst BEIJIG LIHE ZHIXIN TECHNOLOGY LTD 2014-07-23 CN disclosed
CN-103923238-A Catalyst component for olefin polymerization and catalyst BEIJING LIHE ZHIXIN TECHNOLOGY CO LTD 2014-07-16 CN disclosed
CN-102627712-B Preparation method and application of Ziegler Natta catalyst for propylene polymerization CHANGCHUN APPLIED CHEMISTRY 2014-02-12 CN disclosed
CN-103476806-A Catalyst components for the polymerization of olefins BASELL POLIOLEFINE SRL 2013-12-25 CN disclosed
CN-102781970-A Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA SRL 2012-11-14 CN disclosed
CN-102643370-A Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA 2012-08-22 CN disclosed
CN-102627712-A Preparation method and application of Ziegler Natta catalyst for propylene polymerization CHANGCHUN APPLIED CHEMISTRY 2012-08-08 CN disclosed
CN-1681853-A Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA (IT) 2005-10-12 CN disclosed