SCHEMBL10437932

SCHEMBL10437932

CC(C)[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.42
▸ BACE1 P56817 3/20 0.40
▸ CTSD P07339 2/20 0.40
▸ PSMB5 P28074 1/20 0.39
▸ FURIN P09958 1/20 0.38
▸ GLO1 Q04760 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37

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
SCHEMBL10437931 1.00 NOD1 (0.42) NOD1BACE1CTSDPSMB5FURIN
SCHEMBL29695558 0.89 BACE1 (0.43) BACE1CTSDGLO1
SCHEMBL30123083 0.87 BACE1 (0.44) NOD1BACE1CTSDFNTAFNTB
SCHEMBL30832635 0.86 NOD1 (0.49) NOD1BACE1CTSDPSMB5FURIN
SCHEMBL29695472 0.85 BACE1 (0.46) BACE1CTSDOPRD1
SCHEMBL30563222 0.85 OPRD1 (0.44) NOD1GLO1OPRM1OPRD1
SCHEMBL29695562 0.85 BACE1 (0.45) BACE1CTSD
SCHEMBL30272505 0.84 BACE1 (0.42) BACE1CTSDOPRM1OPRD1
SCHEMBL29772026 0.84 FOLH1 (0.45) NOD1BACE1CTSDGLO1OPRM1
SCHEMBL30099496 0.83 BACE1 (0.47) BACE1CTSD

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
EP-0354652-A2 Novel alpha-N-acetylgalactosaminyltransferase and method of detecting tumour cells using same The Biomembrane Institute (US) 1990-02-14 — — EP claimed
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