SCHEMBL1195424

SCHEMBL1195424

CCCCC(CC)COC(=O)C1C(C)C=CC(C)C1C(=O)OCC(CC)CCCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.54
TSHR P16473 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 7/20 0.51
CA2 P00918 3/20 0.51
LMNA P02545 3/20 0.47
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 1/20 0.46
RECQL P46063 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL10763461 0.86 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1195754 0.84 CYP3A4 (0.45) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL31372196 0.82 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL31372519 0.82 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL6524493 0.82 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL6524495 0.82 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL31372430 0.82 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL1196153 0.82 CYP3A4 (0.54) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL14874505 0.81 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL14874506 0.81 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221320-B1 SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF POLYMERIZING OLEFIN MITSUI CHEMICALS INC (JP) 2017-06-21 EP disclosed
EP-1845113-B1 SOLID TITANIUM CATALYST COMPONENT, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER MITSUI CHEMICALS INC (JP) 2015-04-01 EP disclosed
US-8742040-B2 Solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization process MITSUI CHEMICALS, INC. (JP) 2014-06-03 US disclosed
US-7888438-B2 A solid titanium catalyst component comprising titanium, magnesium, halogen, and a C5-C10 carbocyclic diester, and an organometallic component; moldable polyolefins having broad molecular weight distribution MITSUI CHEMICALS, INC. (JP) 2011-02-15 US disclosed
US-20100305285-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION PROCESS MITSUI CHEMICALS, INC. 2010-12-02 US disclosed
EP-2221320-A1 SOLID TITANIUM CATALYST INGREDIENT, CATALYST FOR OLEFIN POLYMERIZATION, AND METHOD OF POLYMERIZING OLEFIN Mitsui Chemicals, Inc. (JP) 2010-08-25 EP disclosed
US-7649062-B2 Solid titanium catalyst component, catalyst for polymerization of olefin and process for producing olefin polymer MITSUI CHEMICALS, INC. (JP) 2010-01-19 US disclosed
US-20090069515-A1 Solid Titanium Catalyst Component, Catalyst for Polymerization of Olefin and Process for Producing Olefin Polymer MITSUI CHEMICALS,INC. (JP) 2009-03-12 US disclosed
US-20080097050-A1 Solid titanium catalyst component, catalyst for polymerization of olefin and process for producing olefin polymer MITSUI CHEMICALS, INC. (JP) 2008-04-24 US disclosed
EP-1845113-A1 SOLID TITANIUM CATALYST COMPONENT, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2007-10-17 EP disclosed