SCHEMBL4628360

SCHEMBL4628360

CCCCOC(=O)c1ccc(CC)cc1C(=O)OCCCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 7/20 0.50
MAPK1 P28482 4/20 0.50
CYP3A4 P08684 4/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 3/20 0.49
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRB2 P47870 1/20 0.48
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4628321 0.96 GABRA1 (0.51) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4628651 0.92 GABRA1 (0.48) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4626627 0.91 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4627574 0.90 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4627323 0.90 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4628008 0.90 TSHR (0.67) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4628171 0.89 TSHR (0.55) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4642867 0.86 TSHR (0.55) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4628608 0.86 TSHR (0.61) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL4626668 0.86 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1MAPK1

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