SCHEMBL21497261

SCHEMBL21497261

COc1cc(N2C(=O)C=CC2=O)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.68
TLR9 Q9NR96 1/20 0.68
MGLL Q99685 8/20 0.53
HSP90AA1 P07900 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
PKM P14618 2/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAOB P27338 1/20 0.48
RAB9A P51151 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FAAH O00519 2/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
PAX8 Q06710 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TRIM24 O15164 1/20 0.46

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
SCHEMBL11351513 0.84 G6PD (0.74) G6PDTLR9MGLLHSP90AA1PKM
SCHEMBL14086656 0.80 CA2 (0.46) G6PDTLR9TDP1MAOBRAB9A
SCHEMBL24939831 0.79 G6PD (0.62) G6PDTLR9MGLLHSP90AA1TDP1
SCHEMBL7922441 0.77 MGLL (0.59) G6PDTLR9MGLLHSP90AA1TDP1
SCHEMBL29683979 0.77 MGLL (0.59) G6PDTLR9MGLLHSP90AA1TDP1
SCHEMBL9500193 0.77 G6PD (0.75) G6PDTLR9MGLLHSP90AA1PKM
SCHEMBL21495979 0.77 MGLL (0.53) G6PDTLR9MGLLHSP90AA1TDP1
SCHEMBL11352324 0.76 G6PD (0.63) G6PDTLR9MGLLHSP90AA1PKM
SCHEMBL10884128 0.76 G6PD (0.62) G6PDTLR9MGLLHSP90AA1PKM
SCHEMBL10884938 0.74 G6PD (0.56) G6PDTLR9MGLLHSP90AA1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111602087-B Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, polymer and compound JSR株式会社 2023-03-24 CN disclosed
CN-111602087-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, polymer and compound JSR株式会社 2020-08-28 CN disclosed
WO-2019202884-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ELEMENT, POLYMER, AND COMPOUND JSR株式会社 2019-10-24 WO disclosed