SCHEMBL4628527

SCHEMBL4628527

CCCCOC(=O)c1cc(Br)ccc1C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
TSHR P16473 6/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 3/20 0.54
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 6/20 0.53
LMNA P02545 3/20 0.53
ESR1 P03372 4/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRB2 P47870 1/20 0.47
CA12 O43570 1/20 0.45

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
SCHEMBL232582 0.95 TSHR (0.65) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL28366858 0.91 TSHR (0.66) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL4626673 0.90 TSHR (0.67) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL234030 0.89 TSHR (0.60) TSHRMAPK1ALDH1A1LMNAHSD17B10
SCHEMBL23839278 0.88 ATM (0.60) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL28877583 0.88 ATM (0.60) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL6911640 0.86 TSHR (0.54) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL4627848 0.86 TSHR (0.54) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL4628055 0.86 ATM (0.46) ATMTSHRTDP1L3MBTL1MAPK1
SCHEMBL4628603 0.86 TSHR (0.54) ATMTSHRTDP1L3MBTL1MAPK1

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