SCHEMBL4626906

SCHEMBL4626906

CCCCOC(=O)c1ccc(C)cc1C(=O)OCC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 8/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 3/20 0.50
CYP3A4 P08684 3/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 3/20 0.49
HSD17B10 Q99714 2/20 0.46
ESR1 P03372 4/20 0.43
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
ATM Q13315 1/20 0.42
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL301821 0.90 TSHR (0.67) TSHRL3MBTL1TDP1ALDH1A1MEN1
SCHEMBL7639514 0.89 TSHR (0.43) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL234652 0.89 TSHR (0.43) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL4628177 0.87 TSHR (0.51) TSHRL3MBTL1TDP1ALDH1A1MEN1
SCHEMBL6912120 0.87 TSHR (0.63) TSHRL3MBTL1TDP1ALDH1A1MEN1
SCHEMBL4628503 0.86 TSHR (0.55) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL4628202 0.86 TSHR (0.53) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL28363256 0.86 TSHR (0.68) TSHRL3MBTL1TDP1ALDH1A1MEN1
SCHEMBL6911640 0.85 TSHR (0.54) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL4625866 0.85 TSHR (0.54) TSHRL3MBTL1TDP1ALDH1A1KMT2A

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