SCHEMBL4628622

SCHEMBL4628622

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4627086 0.88 MAPK1 (0.40) MAPK1TSHRALDH1A1SMN1; SMN2GAA
SCHEMBL4626502 0.86 MAPK1 (0.41) MAPK1TSHRPDE3BPDE3AALDH1A1
SCHEMBL4627101 0.84 MAPK1 (0.39) MAPK1TSHRPDE3BPDE3AALDH1A1
SCHEMBL4625610 0.83 MAPK1 (0.39) MAPK1TSHRALDH1A1SMN1; SMN2GAA
SCHEMBL4628624 0.82 MAPK1 (0.40) MAPK1TSHRALDH1A1SMN1; SMN2CA12
SCHEMBL4626485 0.82 PDE3B (0.39) MAPK1TSHRPDE3BPDE3AALDH1A1
SCHEMBL4628635 0.80 CYP4F2 (0.40) MAPK1TSHRALDH1A1SMN1; SMN2CA12
SCHEMBL4627971 0.80 MAPK1 (0.40) MAPK1TSHRALDH1A1SMN1; SMN2GAA
SCHEMBL4627557 0.79 TSHR (0.45) MAPK1TSHRALDH1A1SMN1; SMN2GAA
SCHEMBL6911128 0.78 TSHR (0.44) MAPK1TSHRALDH1A1SMN1; SMN2GAA

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