SCHEMBL4627253

SCHEMBL4627253

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
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
ADORA3 P0DMS8 3/20 0.36
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 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
SCHEMBL4628649 0.94 TSHR (0.40) TSHRCA12CA1CA2CA7
SCHEMBL4626962 0.89 TSHR (0.45) TSHRKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL4627872 0.89 TSHR (0.40) TSHRCA12CA1CA2CA7
SCHEMBL4627990 0.87 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL4626829 0.87 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL4626751 0.86 TSHR (0.38) TSHRCA12CA1CA2CA7
SCHEMBL4627461 0.86 TSHR (0.38) TSHRCA12CA1CA2CA7
SCHEMBL4628570 0.86 ALOX15 (0.38) TSHRCA12CA1CA2CA7
SCHEMBL4627876 0.86 TSHR (0.38) TSHRCA12CA1CA2CA7
SCHEMBL4627166 0.85 TSHR (0.39) TSHRCA12CA1CA2CA7

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