SCHEMBL28292834

SCHEMBL28292834

NCC(=O)Oc1cccc2c1Cc1ccccc1O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MAPKAPK2 P49137 1/20 0.36
ACSL1 P33121 1/20 0.34
HTR2A P28223 1/20 0.34
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
PNMT P11086 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPA1 O75762 1/20 0.31
MEN1 O00255 1/20 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
SCHEMBL28671388 0.90 MAOA (0.46) MAOAMAOBMAPKAPK2ACSL1CTNNB1
SCHEMBL28327108 0.88 MAOA (0.43) MAOAMAOBMAPKAPK2ACSL1HTR2A
SCHEMBL28207675 0.86 MAOA (0.42) MAOAMAOBMAPKAPK2ACSL1HTR2A
SCHEMBL7559262 0.85 LMNA (0.43) MAOAMAOBHTR2AKDM4EMEN1
SCHEMBL28681972 0.85 MAOA (0.41) MAOAMAOBMAPKAPK2ACSL1KDM4E
SCHEMBL2715642 0.84 MAOA (0.48) MAOAMAOBMAPKAPK2ACSL1CTNNB1
SCHEMBL20136602 0.84 MAOA (0.40) MAOAMAOBMAPKAPK2ACSL1CTNNB1
SCHEMBL28612202 0.82 MAOA (0.38) MAOAMAOBMAPKAPK2ACSL1
SCHEMBL411459 0.82 MAOA (0.46) MAOAMAOBACSL1KDM4EALDH1A1
SCHEMBL7560337 0.81 POLM (0.48) HTR2AKDM4EALDH1A1TDP1MEN1

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-109770251-A A kind of quick pickled material core material and preparation method thereof 上海高更食品科技股份有限公司 2019-05-21 CN disclosed