SCHEMBL23837641

SCHEMBL23837641

C=C(/C=C(\O)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
AKT1 P31749 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36

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
SCHEMBL24254437 0.78 MEN1 (0.42) NFE2L2CA12CA1CA2CA9
SCHEMBL6258204 0.78 MEN1 (0.42) NFE2L2CA12CA1CA2CA9
SCHEMBL10479698 0.76 DEGS1 (0.43) NFE2L2CA12CA1CA2CA9
SCHEMBL12907944 0.76 BLM (0.41) NFE2L2CA12CA1CA2CA9
SCHEMBL19141920 0.76 DEGS1 (0.43) NFE2L2CA12CA1CA2CA9
SCHEMBL10479693 0.76 DEGS1 (0.43) NFE2L2CA12CA1CA2CA9
SCHEMBL23268276 0.75 KMT2A (0.39) CA12CA1CA2CA9MAPT
SCHEMBL4957392 0.75 AKT1 (0.45) NFE2L2CA12CA1CA2CA9
SCHEMBL108144 0.74 AKT1 (0.54) MAPTSMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL3386465 0.73 AKR1C3 (0.50) NFE2L2CA12CA1CA2CA9

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
EP-3883345-A1 FILM PRODUCTION METHOD Sumitomo Chemical Company Limited (JP) 2021-09-22 EP disclosed