Charcoal, Activated

Charcoal, Activated

SCHEMBL29433728

COC(=O)[C@H](CCCCN)NOCc1ccccc1.[C]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.55
EPOR P19235 2/20 0.52
LNPEP Q9UIQ6 3/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TPSAB1 Q15661 1/20 0.46
ERAP2 Q6P179 2/20 0.46
ERAP1 Q9NZ08 1/20 0.46
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
LTA4H P09960 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TLR2 O60603 3/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
SIRT3 Q9NTG7 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
Hydrochloric Acid SCHEMBL29433727 0.99 ANPEP (0.54) ANPEPEPORLNPEPPRSS1PRSS2
SCHEMBL7226853 0.87 MMP2 (0.50) ANPEPEPORCPB1CPB2LTA4H
SCHEMBL7226850 0.87 MMP2 (0.50) ANPEPEPORCPB1CPB2LTA4H
Methane SCHEMBL28261132 0.85 MMP2 (0.49) ANPEPEPORCPB1CPB2LTA4H
SCHEMBL7761772 0.83 PRSS1 (0.44) ANPEPEPORPRSS1PRSS2PRSS3
SCHEMBL7761868 0.83 PRSS1 (0.44) ANPEPEPORPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL9440688 0.82 SIRT2 (0.51) SIRT2SIRT1SIRT3CA1CA2
SCHEMBL3982664 0.82 NPC1 (0.46) PRSS1PRSS2PRSS3TPSAB1CPB1
SCHEMBL1840309 0.82 SIRT2 (0.61) ANPEPPRSS1PRSS2PRSS3TPSAB1
SCHEMBL1840311 0.82 SIRT2 (0.61) ANPEPPRSS1PRSS2PRSS3TPSAB1

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
WO-2022041126-A1 GLYCYRRHIZIC ACID DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 林振文 2022-03-03 WO disclosed