SCHEMBL4628281

SCHEMBL4628281

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.37
MAOB P27338 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4628478 0.91 ESR1 (0.40) THRATHRBTSHRMAPK1TDP1
SCHEMBL4626737 0.88 KDM4E (0.36) ALOX15MAOBCA1CA2CA12
SCHEMBL4628686 0.88 ALOX15 (0.38) ALOX15CYP4F2CYP4A11CA1CA2
SCHEMBL4626580 0.88 MAOB (0.39) MAOBCYP4F2CYP4A11CA1CA2
SCHEMBL4627328 0.87 NPSR1 (0.36) ALOX15MAOBCA1CA2CA12
SCHEMBL4628675 0.87 ALOX15 (0.37) ALOX15CYP4F2CYP4A11CA1CA2
SCHEMBL4626565 0.87 MAOB (0.39) MAOBCYP4F2CYP4A11CA1CA2
SCHEMBL4628048 0.83 ALOX15 (0.38) ALOX15CYP4F2CYP4A11CA1CA2
SCHEMBL4628151 0.83 ALOX15 (0.36) ALOX15CYP4F2CYP4A11CA1CA2
SCHEMBL4627422 0.82 PDE3B (0.37) ALOX15THRATHRBTSHRGAA

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