SCHEMBL6671748

SCHEMBL6671748

CC(C)CCC(CCC(C)C)OC(=O)c1ccc(C(=O)OC(CCC(C)C)CCC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
MAPK1 P28482 2/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 3/20 0.42
PTPN1 P18031 1/20 0.42
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL6671745 0.93 MAPK1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6670608 0.90 PRKCA (0.51) CA12CA1CA2CA7CA9
SCHEMBL6673232 0.88 PNLIP (0.48) CA12CA1CA2CA7CA9
SCHEMBL6901535 0.87 PNLIP (0.50) CA12CA1CA2CA7CA9
SCHEMBL6670607 0.84 PRKCA (0.47) MAPK1ALDH1A1TSHRPRKCAPRKCD
SCHEMBL569449 0.84 TSHR (0.49) PDCD1CD274ALDH1A1TSHRNPC1
SCHEMBL6673230 0.83 RARB (0.47) MAPK1ALDH1A1TSHRPRKCAPRKCD
SCHEMBL7749203 0.83 TSHR (0.47) PDCD1CD274ALDH1A1TSHRNPC1
SCHEMBL14974054 0.82 TDP1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL6897936 0.82 TP53 (0.48) MAPK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0978520-B1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO LTD (JP) 2004-09-29 EP disclosed
EP-0950668-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2004-05-12 EP disclosed
EP-0811639-B1 SOLID CATALYTIC COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO LTD (JP) 2001-08-01 EP disclosed
US-6228791-B1 CATALYST PREPARED BY CONTACTING MAGNESIUM COMPOUND, TETRAVALENT HALOGEN-CONTAINING TITANIUM COMPOUND, DIESTER OF AROMATIC DICARBOXYLIC ACID, AROMATIC HYDROCARBON AND ORGANIC ALUMINUM COMPOUND CONTAINING HYDROXYL GROUP TOHO TITANIUM CO., LTD. (JP) 2001-05-08 US disclosed
EP-0978520-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO., LTD. (JP) 2000-02-09 EP disclosed
EP-0950668-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO., LTD. (JP) 1999-10-20 EP disclosed
US-5965478-A A POLYMERIZATION CATALYST IS A REACTION PRODUCT OF A TITANIUM HALIDE, A DIESTER OF AROMATIC DICARBOXYLIC ACID AND A DIALKOXYMAGNESIUM PARTICLES HAVING A HIGH BULK DENSITY; POLYOLEFIN HAVING A HIGH STEREOREGULARITY, HIGH BULK DENSITY TOHO TITANIUM CO., LTD. (JP) 1999-10-12 US disclosed
EP-0811639-A1 SOLID CATALYTIC COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST TOHO TITANIUM CO., LTD. (JP) 1997-12-10 EP disclosed