SCHEMBL4628577

SCHEMBL4628577

CCCCOC(=O)c1cccc(Cl)c1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 3/20 0.51
CYP3A4 P08684 2/20 0.51
TP53 P04637 2/20 0.51
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
ESR1 P03372 2/20 0.44
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 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
SCHEMBL4627248 0.89 TSHR (0.66) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4626983 0.87 TSHR (0.51) TSHRTDP1L3MBTL1MAPK1TP53
SCHEMBL6904241 0.86 TSHR (0.55) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4626642 0.85 TSHR (0.60) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4628653 0.85 TSHR (0.56) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4627542 0.85 TSHR (0.56) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4628572 0.85 TSHR (0.56) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL7918899 0.84 ALDH1A1 (0.68) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL28994423 0.82 TSHR (0.78) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4627148 0.81 TSHR (0.55) 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