SCHEMBL4628623

SCHEMBL4628623

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PTPN2 P17706 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.39
CYP4F2 P78329 1/20 0.38

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
SCHEMBL6910969 1.00 MAPK1 (0.43) MAPK1TSHRKDM4ENPSR1RXFP1
SCHEMBL4626509 0.92 TSHR (0.46) MAPK1TSHRKDM4ENPSR1RXFP1
SCHEMBL4627116 0.89 TSHR (0.48) MAPK1TSHRKDM4ECRHBPCRHR2
SCHEMBL4626852 0.89 TSHR (0.52) MAPK1TSHRKDM4ENPSR1RXFP1
SCHEMBL6905640 0.87 MAPK1 (0.42) MAPK1TSHRKDM4ENPSR1RXFP1
SCHEMBL4625607 0.87 MAPK1 (0.42) MAPK1TSHRKDM4ENPSR1RXFP1
SCHEMBL4628633 0.85 CYP4F2 (0.46) MAPK1TSHRKDM4ENPSR1RXFP1
SCHEMBL4627234 0.85 TSHR (0.42) MAPK1TSHRKDM4ENPSR1RXFP1
SCHEMBL4625670 0.85 TSHR (0.42) MAPK1TSHRKDM4ENPSR1RXFP1
SCHEMBL4626499 0.83 MAPK1 (0.43) MAPK1TSHRKDM4ECRHBPCRHR2

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