SCHEMBL4626637

SCHEMBL4626637

CCOC(=O)c1cccc(I)c1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CLEC4M Q9H2X3 1/20 0.43
CDC25B P30305 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL4627106 0.88 TSHR (0.61) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL28561247 0.88 GRM6 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL4628572 0.87 TSHR (0.56) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL4627151 0.85 TSHR (0.54) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL4628486 0.84 TSHR (0.50) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL4627465 0.84 TSHR (0.53) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL4625853 0.83 TSHR (0.51) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL4626983 0.83 TSHR (0.51) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL4628669 0.83 TSHR (0.51) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL1097338 0.82 TSHR (0.58) TSHRALDH1A1HSD17B10CA12CA1

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