SCHEMBL22892705

SCHEMBL22892705

CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)N1CCCC1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ PRCP P42785 1/20 0.42
▸ CMA1 P23946 11/20 0.42
▸ CTRC Q99895 1/20 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
SCHEMBL28708945 0.86 MDM2 (0.40) ADORA3ADORA2AADORA2BADORA1
SCHEMBL22892703 0.86 MDM2 (0.40) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7267896 0.84 ADORA3 (0.58) KLK5ACEF2PRSS1ADORA3
SCHEMBL7276997 0.82 ADORA3 (0.57) KLK5ACEF2PRSS1ADORA3
SCHEMBL9462716 0.82 ADORA3 (0.61) KLK5ACEF2PRSS1ADORA3
SCHEMBL21838235 0.80 PRCP (0.46) KLK5ACEPRCPCMA1
SCHEMBL21838233 0.80 PRCP (0.46) KLK5ACEPRCPCMA1
SCHEMBL21838236 0.80 PRCP (0.46) KLK5ACEPRCPCMA1
SCHEMBL30058495 0.80 PRCP (0.46) KLK5ACEPRCPCMA1
SCHEMBL30849154 0.80 ACE (0.47) ACEPRCPCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3792250-A1 SYNTHESIS OF ALPHA-AMANITIN AND ITS DERIVATIVES Pure Bioorganics SIA (LV) 2021-03-17 — — EP disclosed
WO-2021004973-A1 SYNTHESIS OF A-AMANITIN AND ITS DERIVATIVES PURE BIOORGANICS SIA (LV) 2021-01-14 — — WO disclosed
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