SCHEMBL4648591

SCHEMBL4648591

O=C(ON1C(=O)CC(O)C1=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.45
SGMS2 Q8NHU3 4/20 0.45
PTGER1 P34995 1/20 0.44
FAAH O00519 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.42
PPIA P62937 1/20 0.42
MCL1 Q07820 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL4744350 0.91 MEN1 (0.43) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL4747442 0.84 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4415350 0.71 HTT (0.75) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL2844752 0.70 HTT (0.64) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL1006768 0.70 HTT (0.64) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL9574717 0.70 HTT (0.73) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL978857 0.70 HTT (0.64) MEN1KMT2ASMN1; SMN2NPSR1HTT
SCHEMBL29433417 0.69 SGMS2 (0.66) KMT2AHTTALDH1A1LMNASGMS2
SCHEMBL112903 0.69 SGMS2 (0.66) KMT2AHTTALDH1A1LMNASGMS2
SCHEMBL9696207 0.69 SGMS2 (0.66) MEN1KMT2AHTTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 WO disclosed