SCHEMBL7985945

SCHEMBL7985945

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)c1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
MIF P14174 1/20 0.34
RAB9A P51151 8/20 0.33
NPC1 O15118 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HTT P42858 1/20 0.32
BCHE P06276 1/20 0.31
KDM4E B2RXH2 2/20 0.31
KDM1A O60341 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL7985951 1.00 MAPT (0.35) MAPTMIFRAB9ANPC1SMN1; SMN2
SCHEMBL7985674 0.85 MAPT (0.31) MAPTMIF
SCHEMBL7985676 0.85 MAPT (0.31) MAPTMIF
SCHEMBL24414259 0.84 MIF (0.47) MAPTMIFRAB9ANPC1SMN1; SMN2
SCHEMBL6649744 0.83 MAPT (0.38) MAPTMIFRAB9ANPC1SMN1; SMN2
SCHEMBL7974738 0.79 PKM (0.34)
SCHEMBL7974737 0.79 PKM (0.34)
SCHEMBL5501122 0.79 NR1H4 (0.38) MIFRAB9A
SCHEMBL7989716 0.77 LMNA (0.42) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7989719 0.77 LMNA (0.42) MAPTRAB9ASMN1; SMN2MEN1KMT2A

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed