SCHEMBL4628017

SCHEMBL4628017

CCCCOC(=O)c1cc(CC)c(CC)cc1C(=O)OCC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.46
ESR1 P03372 5/20 0.45
KDM4E B2RXH2 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
SCHEMBL4627847 0.92 TSHR (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4628021 0.92 TSHR (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4627317 0.90 ESR1 (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4626608 0.90 ESR1 (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4628430 0.90 ESR1 (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4626830 0.90 ESR1 (0.48) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4626773 0.89 TSHR (0.65) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL234031 0.89 SERPINE1 (0.40) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4628202 0.88 TSHR (0.53) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4627133 0.87 ESR1 (0.52) TSHRTDP1L3MBTL1CYP3A4MAPK1

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