SCHEMBL4628005

SCHEMBL4628005

CCOC(=O)c1ccc(Cl)cc1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.47
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 3/20 0.44
CYP4F2 P78329 1/20 0.43

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
SCHEMBL235046 0.89 TSHR (0.60) TSHRMAPK1CA12CA1CA2
SCHEMBL4628324 0.86 TSHR (0.54) TSHRMAPK1KDM4EALDH1A1KMT2A
SCHEMBL4628279 0.85 TSHR (0.49) TSHRMAPK1CA12CA1CA2
SCHEMBL4627939 0.85 TSHR (0.51) TSHRMAPK1CRHBPCRHR2CA12
SCHEMBL4627261 0.84 CYP4F2 (0.48) TSHRMAPK1CRHBPCRHR2CA12
SCHEMBL4627555 0.84 TSHR (0.50) TSHRMAPK1CRHBPCRHR2CA12
SCHEMBL6911127 0.82 TSHR (0.49) TSHRMAPK1CRHBPCRHR2CA12
SCHEMBL4626516 0.82 TSHR (0.49) TSHRMAPK1CRHBPCRHR2CA12
SCHEMBL4627481 0.82 TSHR (0.50) TSHRMAPK1CRHBPCRHR2CA12
SCHEMBL31268668 0.81 MAPK1 (0.51) TSHRMAPK1CA12CA1CA2

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