SCHEMBL30861236

SCHEMBL30861236

N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 4/20 0.53
▸ OPRM1 P35372 3/20 0.53
▸ BACE1 P56817 7/20 0.50
▸ BACE2 Q9Y5Z0 2/20 0.50
▸ KEAP1 Q14145 1/20 0.49
▸ CTSD P07339 1/20 0.49
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL30987807 0.96 BACE1 (0.53) OPRD1OPRM1BACE1BACE2CTSD
SCHEMBL31256956 0.92 OPRD1 (0.57) OPRD1OPRM1BACE1CTSDOPRK1
SCHEMBL31031528 0.91 NAALAD2 (0.55) OPRD1OPRM1BACE1BACE2CTSD
SCHEMBL29630590 0.89 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL29892592 0.89 NAALAD2 (0.59) BACE1BACE2CTSD
SCHEMBL30193015 0.88 BACE1 (0.53) OPRD1OPRM1BACE1BACE2CTSD
SCHEMBL30903442 0.88 OPRM1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL30436782 0.88 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL29603611 0.88 NAALAD2 (0.60) BACE1BACE2CTSD
SCHEMBL29603574 0.88 NAALAD2 (0.60) BACE1BACE2CTSD

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-117814263-A Biological agent for preventing and treating clubroot of cruciferous flower and application thereof 云南星耀生物制品有限公司 2024-04-05 — — CN disclosed
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