SCHEMBL8239241

SCHEMBL8239241

O=C(N[C@@H](CCP(=O)(O)C(O)c1cccc([N+](=O)[O-])c1)C(=O)O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 11/20 0.61
GRM4 Q14833 11/20 0.61
GRM6 O15303 4/20 0.61
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TGM2 P21980 1/20 0.45
MME P08473 1/20 0.43
ECE1 P42892 1/20 0.43
CTSL P07711 1/20 0.43
RAB9A P51151 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
SCHEMBL10000466 0.93 GRM8 (0.56) GRM8GRM4GRM6HDAC1HDAC2
SCHEMBL13774905 0.85 GRM8 (0.52) GRM8GRM4GRM6HDAC1HDAC2
SCHEMBL346779 0.84 GRM8 (0.54) GRM8GRM4GRM6HDAC1HDAC2
SCHEMBL346780 0.84 GRM8 (0.54) GRM8GRM4GRM6HDAC1HDAC2
SCHEMBL13774966 0.83 GRM8 (0.53) GRM8GRM4GRM6HDAC1HDAC2
SCHEMBL13774896 0.83 GRM8 (0.53) GRM8GRM4GRM6HDAC1HDAC2
SCHEMBL8238396 0.79 GRM8 (0.56) GRM8GRM4GRM6
SCHEMBL4085127 0.79 GRM8 (0.58) GRM8GRM4GRM6
SCHEMBL13774898 0.79 GRM8 (0.56) GRM8GRM4HDAC1HDAC2CTSL
SCHEMBL8241361 0.79 GRM8 (0.56) GRM8GRM4HDAC1HDAC2CTSL

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-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 WO disclosed