SCHEMBL4627328

SCHEMBL4627328

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
PRNP P04156 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4625671 0.91 ESR1 (0.41) TSHRMAPK1TDP1L3MBTL1MEN1
SCHEMBL4626737 0.89 KDM4E (0.36) NPSR1KDM4ERXFP1TSHRGAA
SCHEMBL4627365 0.88 TSHR (0.36) NPSR1TSHRGAAMAPK1MAPT
SCHEMBL4625772 0.88 GRIN2D (0.38) NPSR1TSHRGAAMAPK1MAPT
SCHEMBL4628281 0.87 ALOX15 (0.37) NPSR1KDM4ERXFP1TSHRGAA
SCHEMBL6912282 0.86 ALDH1A1 (0.38) NPSR1KDM4ERXFP1TSHRGAA
SCHEMBL4627422 0.86 PDE3B (0.37) TSHRGAAMAPK1MAPTHTT
SCHEMBL4627194 0.86 ALOX15 (0.37) NPSR1KDM4ETSHRGAAMAPK1
SCHEMBL4628151 0.84 ALOX15 (0.36) NPSR1TSHRGAAMAPK1MAPT
SCHEMBL4627448 0.83 ALDH1A1 (0.36) NPSR1TSHRGAAMAPK1MAPT

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