SCHEMBL17826625

SCHEMBL17826625

NOC(=O)C(=O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
TSHR P16473 1/20 0.39
CTH P32929 1/20 0.39
CBS P35520 1/20 0.39
THPO P40225 1/20 0.39
THRB P10828 1/20 0.38
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL28443284 0.76 EGLN1 (0.50) TSHRCTHCBSTHPOTHRB
SCHEMBL812074 0.74 EGLN1 (0.48) LDHASRRTSHREGLN1
SCHEMBL29119966 0.74 ALOX15 (0.43) LDHASRRTSHRCTHCBS
SCHEMBL15128084 0.72 LDHA (0.42) LDHASRREGLN1
SCHEMBL28232053 0.71
SCHEMBL2814623 0.71 LDHA (0.67) LDHASRRTSHRGLRA1SLC6A9
SCHEMBL27393212 0.71 TSHR (0.32) TSHRCTHCBSTHPOTHRB
SCHEMBL895898 0.71
SCHEMBL8410678 0.70 LDHA (0.40) LDHASRRTSHRCTHCBS
SCHEMBL8849343 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365874-B2 Methods for synthesis of olefins and derivatives GENOMATICA, INC. (US) 2016-06-14 US disclosed