SCHEMBL4625516

SCHEMBL4625516

CCOC(=O)c1cccc(Br)c1C(=O)OCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CDC25B P30305 2/20 0.42
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
F2R P25116 1/20 0.40
CYP1A2 P05177 2/20 0.40
HPGD P15428 1/20 0.39
CLEC4M Q9H2X3 1/20 0.39
CDC25A P30304 1/20 0.39

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
SCHEMBL4626397 0.90 TSHR (0.61) TSHRCA12CA1CA2CA7
SCHEMBL4627303 0.87 TSHR (0.55) TSHRALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL4625657 0.86 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL4627291 0.84 TSHR (0.51) TSHRCA12CA1CA2CA7
SCHEMBL4628669 0.84 TSHR (0.51) TSHRCA12CA1CA2CA7
SCHEMBL4626873 0.83 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL4628486 0.83 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL4628606 0.83 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL6911577 0.82 TSHR (0.75) TSHRALDH1A1HSD17B10CDC25BMAPT
SCHEMBL1962464 0.81 TSHR (0.58) 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