SCHEMBL4625670

SCHEMBL4625670

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPK1 P28482 2/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA12 O43570 4/20 0.40
CA9 Q16790 4/20 0.40
CA7 P43166 3/20 0.40
CA14 Q9ULX7 3/20 0.40
PTPN2 P17706 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4627234 1.00 TSHR (0.42) TSHRKDM4ENPSR1RXFP1MAPK1
SCHEMBL4628286 0.92 TSHR (0.46) TSHRKDM4ENPSR1RXFP1MAPK1
SCHEMBL4625566 0.89 TSHR (0.48) TSHRKDM4EMAPK1CA1CA2
SCHEMBL4626852 0.89 TSHR (0.52) TSHRKDM4ENPSR1RXFP1MAPK1
SCHEMBL4627817 0.88 ESR1 (0.48) TSHRMAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL4625723 0.88 ESR1 (0.48) TSHRMAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL4626483 0.87 KDM4E (0.41) TSHRKDM4ENPSR1RXFP1MAPK1
SCHEMBL4628625 0.87 KDM4E (0.41) TSHRKDM4ENPSR1RXFP1MAPK1
SCHEMBL4626621 0.85 CYP4F2 (0.46) TSHRKDM4ENPSR1RXFP1MAPK1
SCHEMBL6910969 0.85 MAPK1 (0.43) TSHRKDM4ENPSR1RXFP1MAPK1

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