SCHEMBL29099339

SCHEMBL29099339

NC(=O)OCc1nccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.44
PLG P00747 1/20 0.44
F12 P00748 1/20 0.43
NCF1 P14598 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP10 Q53GL7 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
CNR2 P34972 2/20 0.40

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
SCHEMBL5060028 0.84 ALDH1A1 (0.46) PLAUF12NCF1NOS3NOS1
SCHEMBL3824810 0.79 PLAU (0.47) PLAUPLGF12NCF1NOS3
SCHEMBL13018765 0.78 PLAU (0.46) PLAUPLGF12NCF1NOS3
SCHEMBL28332449 0.76 BCHE (0.42) ADORA2AADORA1RAB9AHDAC3HDAC4
SCHEMBL28213969 0.76 PLAU (0.45) PLAUPLGF12NCF1NOS3
SCHEMBL22501729 0.75 ADORA2A (0.55) PLAUPLGF12NCF1NOS3
SCHEMBL4263924 0.75 CYP2A6 (0.50) PLAUPLGF12NCF1NOS3
SCHEMBL6716476 0.74 PLAU (0.42) PLAUPLGF12NCF1NOS3
SCHEMBL6716480 0.74 PLAU (0.42) PLAUPLGF12NCF1NOS3
SCHEMBL3739311 0.73 TDP1 (0.53) PLAUPLGF12NCF1NOS3

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-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed