SCHEMBL4626641

SCHEMBL4626641

CCCCOC(=O)c1cc(Br)c(Br)cc1C(=O)OCCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.52
TSHR P16473 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL4628590 0.94 ESR1 (0.43) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6905907 0.92 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4628596 0.92 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6908948 0.92 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4625668 0.92 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4641200 0.91 ESR1 (0.42) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4628476 0.91 ESR1 (0.47) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4627003 0.89 ESR1 (0.63) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4625684 0.88 ESR1 (0.52) ESR1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4625693 0.88 TSHR (0.44) ESR1TSHRTDP1L3MBTL1CYP3A4

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