SCHEMBL4627166

SCHEMBL4627166

CCOC(=O)c1ccc(I)c(CCCC(C)C)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
ALOX15 P16050 2/20 0.34
MMP2 P08253 1/20 0.34
BMP1 P13497 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 2/20 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
SCHEMBL4626364 0.91 TSHR (0.44) TSHRGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL4627990 0.87 TSHR (0.41) TSHRGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL4628064 0.87 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL4628649 0.86 TSHR (0.40) TSHRGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL4627383 0.86 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4627103 0.85 TSHR (0.39) TSHRGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL4627253 0.85 TSHR (0.39) TSHRGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL4626882 0.85 CYP4F2 (0.41) TSHRGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL4628062 0.85 TSHR (0.39) TSHRGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL4627876 0.84 TSHR (0.38) TSHRGRIN2DGRIN2AGRIN2BGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 EP disclosed
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US disclosed
US-20030130109-A1 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD (JP) 2003-07-10 US disclosed
EP-1209172-A1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION Toho Titanium Co., Ltd. (JP) 2002-05-29 EP disclosed