SCHEMBL4628678

SCHEMBL4628678

CCOC(=O)c1cc(C)c(CC)cc1C(=O)OCC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAPK1 P28482 2/20 0.41
GAA P10253 2/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4628182 1.00 TSHR (0.43) TSHRMAPK1GAACA12CA1
SCHEMBL4627024 0.92 TSHR (0.47) TSHRMAPK1GAACA12CA1
SCHEMBL4625566 0.90 TSHR (0.48) TSHRMAPK1GAACA12CA1
SCHEMBL4628621 0.88 TSHR (0.53) TSHRMAPK1GAACA12CA1
SCHEMBL4628021 0.87 TSHR (0.48) TSHRMAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL4627847 0.87 TSHR (0.48) TSHRMAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL234031 0.87 SERPINE1 (0.40) TSHRMAPK1GAACA12CA1
SCHEMBL4628625 0.85 KDM4E (0.41) TSHRMAPK1GAACA12CA1
SCHEMBL6911857 0.85 CYP4F2 (0.43) TSHRMAPK1GAACA12CA1
SCHEMBL4626483 0.85 KDM4E (0.41) TSHRMAPK1GAACA12CA1

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