SCHEMBL4626577

SCHEMBL4626577

CCCCc1c(CC)c(C)cc(C(=O)OCC)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ADORA3 P0DMS8 3/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
APLNR P35414 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL4625772 0.87 GRIN2D (0.38) TSHRADORA3GAAMAPK1CA12
SCHEMBL4626441 0.83 ALDH1A1 (0.39) TSHRADORA3GAAMAPK1CA12
SCHEMBL4625732 0.83 TSHR (0.41) TSHRMAPK1TDP1CYP3A4ALDH1A1
SCHEMBL4625704 0.82 ALDH1A1 (0.39) TSHRADORA3GAAMAPK1CA12
SCHEMBL4628680 0.82 TSHR (0.38) TSHRADORA3GAAMAPK1CA12
SCHEMBL28816668 0.81 KDM4E (0.45) TSHRALDH1A1L3MBTL1MAPTPTPN1
SCHEMBL4626829 0.81 TSHR (0.42) TSHRADORA3MAPK1CA12CA1
SCHEMBL6912125 0.80 TSHR (0.45) TSHRADORA3MAPK1CA12CA1
SCHEMBL4628025 0.80 TSHR (0.43) TSHRMAPK1TDP1CYP3A4ALDH1A1
SCHEMBL4625770 0.80 TSHR (0.43) TSHRMAPK1TDP1CYP3A4ALDH1A1

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