SCHEMBL4628633

SCHEMBL4628633

CCOC(=O)c1cc(Br)c(Cl)cc1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
MAOB P27338 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.40
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4627261 0.90 CYP4F2 (0.48) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4626509 0.90 TSHR (0.46) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4625497 0.89 CYP4F2 (0.54) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4628349 0.87 ESR1 (0.47) MAPK1TSHRALDH1A1LMNAL3MBTL1
SCHEMBL4626621 0.86 CYP4F2 (0.46) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4628597 0.85 CYP4F2 (0.44) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4628623 0.85 MAPK1 (0.43) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL4627404 0.85 CYP4F2 (0.44) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL6910969 0.85 MAPK1 (0.43) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL6905640 0.84 MAPK1 (0.42) CYP4F2CYP4A11CA1CA2CA12

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