SCHEMBL21633985

SCHEMBL21633985

[CH2][C@@H](O)COc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAOB P27338 2/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TOP1 P11387 1/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
C5AR1 P21730 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL25245760 0.86 MAOB (0.43) MAOBNR4A2
SCHEMBL21634013 0.83 KMT2A (0.48) ALOX5MAOBL3MBTL1KMT2ARAB9A
SCHEMBL21634014 0.83 KMT2A (0.48) ALOX5MAOBL3MBTL1KMT2ARAB9A
SCHEMBL13412635 0.82 ALOX5 (0.63) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL21634068 0.80 ABCB1 (0.49) MAOBMAPTMAPK1KMT2ARAB9A
SCHEMBL4360097 0.80 ALOX5 (0.46) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL11757028 0.78 ADRB2 (0.55) MAPTMAPK1TDP1KMT2ARAB9A
SCHEMBL21634023 0.78 ADRB2 (0.63) PTGS1SLC6A2
SCHEMBL29721075 0.78 ADRB2 (0.63) PTGS1SLC6A2
SCHEMBL29742209 0.78 ADRB2 (0.63) PTGS1SLC6A2

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
WO-2020022783-A9 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, ALLEVIATING, OR TREATING PROTEIN ABNORMALITY DISORDERS 주식회사 프로텍바이오 2020-03-19 WO disclosed
WO-2020022783-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, ALLEVIATING, OR TREATING PROTEIN ABNORMALITY DISORDERS 주식회사 프로텍바이오 2020-01-30 WO disclosed
WO-2020022784-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING PROTEINOPATHIES COMPRISING SAME 주식회사 프로텍바이오 2020-01-30 WO disclosed