SCHEMBL4628151

SCHEMBL4628151

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 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
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRB2 P47870 1/20 0.34
MAPT P10636 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL4628544 0.91 ATM (0.41) TSHRALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL4627422 0.89 PDE3B (0.37) ALOX15TSHRALDH1A1SMN1; SMN2GRIN2D
SCHEMBL4625772 0.86 GRIN2D (0.38) ALOX15TSHRALDH1A1SMN1; SMN2GRIN2D
SCHEMBL4625961 0.86 ALDH1A1 (0.39) TSHRALDH1A1SMN1; SMN2MAPTCA12
SCHEMBL4628686 0.85 ALOX15 (0.38) ALOX15TSHRALDH1A1SMN1; SMN2GRIN2D
SCHEMBL4626737 0.85 KDM4E (0.36) ALOX15TSHRALDH1A1SMN1; SMN2GRIN2D
SCHEMBL4627328 0.84 NPSR1 (0.36) ALOX15TSHRALDH1A1SMN1; SMN2GRIN2D
SCHEMBL4628281 0.83 ALOX15 (0.37) ALOX15TSHRALDH1A1SMN1; SMN2GRIN2D
SCHEMBL4628675 0.82 ALOX15 (0.37) ALOX15TSHRALDH1A1SMN1; SMN2GRIN2D
SCHEMBL4627448 0.81 ALDH1A1 (0.36) ALOX15TSHRALDH1A1SMN1; SMN2GRIN2D

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