SCHEMBL4196367

SCHEMBL4196367

CCOP(=O)(CC(NC(=O)OC(C)(C)C)c1cc(I)c(O)c(I)c1)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
MAPK1 P28482 1/20 0.37
HMGCR P04035 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CTSK P43235 3/20 0.33
CTSS P25774 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
ABCB1 P08183 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL4185597 0.80 PCNA (0.33) MAPTMAPK1ALDH1A1
SCHEMBL282049 0.74 HMGCR (0.45) MAPTHMGCRCYP1A2CYP2C9HTT
SCHEMBL523768 0.71 CTSK (0.46) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL523769 0.71 CTSK (0.46) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL1111142 0.71 CTSK (0.46) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL25412196 0.70 CYP1A2 (0.54) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL524452 0.70 CYP1A2 (0.45) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL524451 0.70 CYP1A2 (0.45) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL30615307 0.70 CYP1A2 (0.54) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL1111203 0.70 CYP1A2 (0.45) MAPTCYP1A2CYP2C9CYP2C19HTT

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 5 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
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