SCHEMBL4626485

SCHEMBL4626485

CCOC(=O)c1cc(CC)c(Br)c(CC(C)(C)C)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
MAPT P10636 2/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 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
SCHEMBL4627235 0.88 TSHR (0.37) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL4627324 0.88 TSHR (0.42) TSHRALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL4628257 0.87 PDE3B (0.39) PDE3BPDE3ATSHRALDH1A1MAPK1
SCHEMBL4628185 0.87 ALDH1A1 (0.38) PDE3BPDE3ATSHRALDH1A1MAPK1
SCHEMBL4628628 0.85 KDM4E (0.38) TSHRALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL4625674 0.83 KDM4E (0.38) TSHRALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL4626448 0.82 ALDH1A1 (0.40) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL4628622 0.82 MAPK1 (0.39) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2
SCHEMBL4628680 0.82 TSHR (0.38) TSHRALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL4626624 0.81 MAOB (0.39) PDE3BPDE3ATSHRALDH1A1SMN1; SMN2

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