SCHEMBL4628286

SCHEMBL4628286

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KDM4E B2RXH2 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
CA7 P43166 3/20 0.42
CA14 Q9ULX7 3/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MAOB P27338 1/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.40

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 0.92 TSHR (0.42) TSHRKDM4ENPSR1RXFP1CA1
SCHEMBL4625670 0.92 TSHR (0.42) TSHRKDM4ENPSR1RXFP1CA1
SCHEMBL4626483 0.91 KDM4E (0.41) TSHRKDM4ENPSR1RXFP1CA1
SCHEMBL4628625 0.91 KDM4E (0.41) TSHRKDM4ENPSR1RXFP1CA1
SCHEMBL4626621 0.90 CYP4F2 (0.46) TSHRKDM4ENPSR1RXFP1CA1
SCHEMBL4627413 0.88 TSHR (0.57) TSHRKDM4ENPSR1RXFP1CA1
SCHEMBL4625566 0.86 TSHR (0.48) TSHRKDM4ECA1CA2CA12
SCHEMBL4627024 0.85 TSHR (0.47) TSHRKDM4ECA1CA2CA12
SCHEMBL4626905 0.84 ESR1 (0.52) TSHRMAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL4627304 0.84 TSHR (0.49) TSHRNPSR1RXFP1CA1CA2

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