SCHEMBL4185597

SCHEMBL4185597

CCOP(=O)(CC(NC(=O)OC(C)(C)C)c1cc(I)c(Oc2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(I)c1)OCC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PCNA P12004 4/20 0.33
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SCN9A Q15858 1/20 0.30
TSHR P16473 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL282428 0.81 PCNA (0.40) PCNATSHR
SCHEMBL4196367 0.80 MAPT (0.37) MAPTMAPK1ALDH1A1
SCHEMBL13504587 0.76 PCNA (0.43) PCNATSHR
SCHEMBL282148 0.69 PCNA (0.52) PCNATSHR
SCHEMBL25500355 0.67 THRB (0.41) PCNAMAPTALDH1A1
SCHEMBL4184897 0.67 ITGB3 (0.40) MAPTALDH1A1TSHR
SCHEMBL4184902 0.67 ITGB3 (0.40) MAPTALDH1A1TSHR
SCHEMBL25500266 0.66 ITGB3 (0.46) PCNAMAPTALDH1A1SCN9ATSHR
SCHEMBL19696953 0.66 SCN9A (0.41) MAPTALDH1A1SCN9ATSHR
SCHEMBL19720247 0.66 SCN9A (0.41) MAPTALDH1A1SCN9ATSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689383-A4 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2009-02-18 EP disclosed
EP-1891080-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
WO-2006128055-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
EP-1689383-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2006-08-16 EP disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 WO disclosed