SCHEMBL15680468

SCHEMBL15680468

CCNC(=O)C(=O)c1cc(=O)c(O)cn1O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.37
THRB P10828 1/20 0.34
BCHE P06276 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
COMT P21964 3/20 0.31
BRD4 O60885 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
SCHEMBL15680165 0.82 TYR (0.33) TYRCOMT
SCHEMBL19425992 0.78 ALDH1A1 (0.38) TYRBCHEMAPTCOMT
SCHEMBL13467618 0.75 TYR (0.42) TYRCOMT
SCHEMBL15680168 0.73 TYR (0.32) TYR
SCHEMBL12968429 0.72 TYR (0.38) TYRCOMT
SCHEMBL15680210 0.71 TYR (0.35) TYRCOMTBRD4
SCHEMBL9664988 0.70 COMT (0.40) TYRCOMT
SCHEMBL15632351 0.70 TYR (0.36) TYR
SCHEMBL19425993 0.70 MAPT (0.34) TYRBCHEMAPTCOMT
SCHEMBL9357301 0.69 TYR (0.34) TYRCOMT

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
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 WO disclosed