SCHEMBL4628601

SCHEMBL4628601

CCCCOC(=O)c1cc(CC)c(Br)c(CCCC(C)C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
TSHR P16473 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ESR1 P03372 5/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRB2 P47870 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
SCHEMBL4627422 0.91 PDE3B (0.37) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4628544 0.90 ATM (0.41) ATMTSHRTDP1L3MBTL1ESR1
SCHEMBL4628535 0.89 TSHR (0.39) ATMTSHRTDP1L3MBTL1ESR1
SCHEMBL4627808 0.89 TSHR (0.41) ATMTSHRTDP1L3MBTL1ESR1
SCHEMBL4626967 0.88 TSHR (0.42) ATMTSHRTDP1L3MBTL1ESR1
SCHEMBL4625671 0.87 ESR1 (0.41) ATMTSHRTDP1L3MBTL1ESR1
SCHEMBL6908952 0.86 ATM (0.43) ATMTSHRTDP1L3MBTL1ESR1
SCHEMBL4625732 0.84 TSHR (0.41) ATMTSHRTDP1L3MBTL1ESR1
SCHEMBL4628478 0.84 ESR1 (0.40) ATMTSHRTDP1L3MBTL1ESR1
SCHEMBL4628363 0.83 TSHR (0.45) ATMTSHRTDP1L3MBTL1ESR1

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