SCHEMBL7143352

SCHEMBL7143352

CCNC(=O)ONC(=N)c1cc[c]cc1OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.35
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP2C19 P33261 1/20 0.33
GLA P06280 1/20 0.33
KLK1 P06870 1/20 0.32
KLK5 Q9Y337 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL4334104 0.76 TSHR (0.47) HCRTR1GAAKDM4EL3MBTL1GLA
SCHEMBL17977307 0.75 MKNK1 (0.44) HCRTR1KDM4EL3MBTL1GLAKMT2A
SCHEMBL1205875 0.74 TDP1 (0.51) HCRTR1GAAKDM4EL3MBTL1GLA
SCHEMBL5178794 0.71 TSHR (0.49) GAAKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL4318856 0.68 TSHR (0.47) HCRTR1GAAKDM4EL3MBTL1GLA
SCHEMBL5460045 0.65 L3MBTL1 (0.65) KDM4EL3MBTL1GLAKMT2AMEN1
SCHEMBL4284044 0.65 KMT2A (0.50) HCRTR1GAAKDM4EL3MBTL1GLA
SCHEMBL127280 0.64 ALDH1A1 (0.39) GAAKDM4EL3MBTL1CYP2C19GLA
SCHEMBL4998751 0.64 KDM4E (0.41) GAAKDM4EL3MBTL1GLAKMT2A
SCHEMBL9024146 0.63 L3MBTL1 (0.45) KDM4EL3MBTL1GLAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289939-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP claimed
WO-2001090051-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO claimed
EP-1289939-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
WO-2001090051-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO disclosed