SCHEMBL4626516

SCHEMBL4626516

CCOC(=O)c1ccc(I)cc1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAPK1 P28482 1/20 0.42
MAP2K2 P36507 1/20 0.40
MAP2K1 Q02750 1/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA1 P14867 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 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
SCHEMBL4626816 0.89 TSHR (0.60) TSHRCA12CA1CA2CA7
SCHEMBL6911755 0.86 TSHR (0.54) TSHRMAPK1ALDH1A1HSD17B10LMNA
SCHEMBL4625463 0.85 TSHR (0.49) TSHRCA12CA1CA2CA7
SCHEMBL4627939 0.85 TSHR (0.51) TSHRCA12CA1CA2CA7
SCHEMBL4627555 0.84 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL6911127 0.82 TSHR (0.49) TSHRCA12CA1CA2CA7
SCHEMBL4627481 0.82 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL4628005 0.82 TSHR (0.49) TSHRCA12CA1CA2CA7
SCHEMBL4627116 0.81 TSHR (0.48) TSHRCA12CA1CA2CA7
SCHEMBL27812272 0.81 TSHR (0.75) TSHRCRHBPCRHR2MAPK1ALDH1A1

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