SCHEMBL4628289

SCHEMBL4628289

CCOC(=O)c1cccc(Cl)c1C(=O)OCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 2/20 0.58
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4625826 0.94 ALDH1A1 (0.65) ALDH1A1TSHRCA2ADRB2ADRB1
SCHEMBL4625495 0.90 TSHR (0.61) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4627148 0.87 TSHR (0.55) ALDH1A1TSHRCA2ADRB2ADRB1
SCHEMBL4627359 0.86 ALDH1A1 (0.61) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4737610 0.85 ALDH1A1 (0.58) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL28146886 0.84 ALDH1A1 (0.59) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4627588 0.84 ALDH1A1 (0.59) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4628574 0.84 TSHR (0.45) ALDH1A1TSHRCA12CA1CA2
SCHEMBL7059492 0.83 ALDH1A1 (0.76) ALDH1A1TSHRCA12CA1CA2
SCHEMBL4625803 0.83 ALDH1A1 (0.58) ALDH1A1TSHRCA12CA1CA2

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