SCHEMBL4628680

SCHEMBL4628680

CCOC(=O)c1cc(C)c(CC)c(CC(C)(C)C)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL4628025 0.89 TSHR (0.43) TSHRMAPK1L3MBTL1LMNACYP3A4
SCHEMBL4628628 0.87 KDM4E (0.38) TSHRADORA3MAPK1L3MBTL1LMNA
SCHEMBL4626753 0.87 CYP4F2 (0.39) TSHRADORA3MAPK1L3MBTL1LMNA
SCHEMBL4628594 0.85 CA1 (0.38) TSHRMAPK1L3MBTL1LMNAKDM4E
SCHEMBL4627235 0.85 TSHR (0.37) TSHRMAPK1L3MBTL1LMNAKDM4E
SCHEMBL4628185 0.84 ALDH1A1 (0.38) TSHRMAPK1L3MBTL1LMNAKDM4E
SCHEMBL4626577 0.82 TSHR (0.39) TSHRADORA3MAPK1L3MBTL1LMNA
SCHEMBL4627971 0.82 MAPK1 (0.40) TSHRADORA3MAPK1L3MBTL1LMNA
SCHEMBL4628257 0.82 PDE3B (0.39) TSHRMAPK1L3MBTL1KDM4EGAA
SCHEMBL4626485 0.82 PDE3B (0.39) TSHRMAPK1L3MBTL1LMNAKDM4E

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