SCHEMBL4628526

SCHEMBL4628526

CCCCOC(=O)c1cc(F)ccc1C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 4/20 0.54
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 5/20 0.53
LMNA P02545 2/20 0.53
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.48
ESR1 P03372 2/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 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
SCHEMBL4628206 0.95 TSHR (0.65) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4628672 0.89 TSHR (0.60) TSHRTDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL4625812 0.86 TSHR (0.54) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4627100 0.86 TSHR (0.46) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4628228 0.86 TSHR (0.54) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4626422 0.86 TSHR (0.54) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4625562 0.86 TSHR (0.54) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL6912120 0.85 TSHR (0.63) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL2453928 0.84 TSHR (0.57) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4628608 0.84 TSHR (0.61) TSHRTDP1L3MBTL1MAPK1CYP3A4

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