SCHEMBL4625815

SCHEMBL4625815

CCCCOC(=O)c1cc(Br)c(Cl)cc1C(=O)OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.47
TSHR P16473 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL4628270 0.91 ESR1 (0.52) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4625684 0.91 ESR1 (0.52) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4627258 0.91 ESR1 (0.55) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4628476 0.90 ESR1 (0.47) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4628004 0.89 ALDH1A1 (0.53) TSHRTDP1L3MBTL1ALDH1A1KMT2A
SCHEMBL4626578 0.87 ESR1 (0.51) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4626563 0.87 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4627374 0.86 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL6909452 0.86 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4640587 0.86 ESR1 (0.48) ESR1TSHRTDP1L3MBTL1ALDH1A1

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