SCHEMBL28536898

SCHEMBL28536898

C=CCCCCCCCCn1c(=O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.34
ABCC4 O15439 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
XDH P47989 1/20 0.33
MAPK10 P53779 1/20 0.33
TRPA1 O75762 1/20 0.32
LMNA P02545 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TYMP P19971 1/20 0.31
LPAR3 Q9UBY5 2/20 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
SCHEMBL28539145 1.00 CYP3A4 (0.36) CYP3A4TSHRABCC4MAPTMAPK1
SCHEMBL19872816 0.98 MEN1 (0.35) CYP3A4TSHRABCC4MAPTMAPK1
SCHEMBL13286768 0.84 ADORA2B (0.36) CYP3A4GAA
SCHEMBL2026591 0.84 TYMP (0.38) TSHRMAPTMAPK1HTTMAPK10
SCHEMBL20495993 0.78 CYP3A4 (0.46) CYP3A4TSHRABCC4MAPTMAPK1
SCHEMBL20495994 0.78 CYP3A4 (0.46) CYP3A4TSHRABCC4MAPTMAPK1
SCHEMBL17041949 0.78 CYP3A4 (0.46) CYP3A4TSHRABCC4MAPTMAPK1
SCHEMBL13835669 0.76 CYP3A4 (0.48) CYP3A4TSHRABCC4MAPTMAPK1
SCHEMBL4105918 0.75 HTT (0.49) TSHRMAPTMAPK1HTTHSD17B10
SCHEMBL11357728 0.75 HTT (0.49) TSHRMAPTMAPK1HTTHSD17B10

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
CN-108350146-B Epoxy resin composition containing long-chain alkylene group 日产化学工业株式会社 2021-03-16 CN disclosed