SCHEMBL30483407

SCHEMBL30483407

N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.60
▸ OPRD1 P41143 13/20 0.58
▸ OPRM1 P35372 6/20 0.58
▸ OPRK1 P41145 1/20 0.58

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
SCHEMBL30780079 0.91 NAALAD2 (0.59) NAALAD2OPRD1OPRM1OPRK1
SCHEMBL29591849 0.90 OPRD1 (0.55) NAALAD2OPRD1OPRM1OPRK1
SCHEMBL30584641 0.89 OPRD1 (0.55) NAALAD2OPRD1OPRM1OPRK1
SCHEMBL28794181 0.89 OPRD1 (0.67) OPRD1OPRM1OPRK1
SCHEMBL31648346 0.88 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL11032575 0.88 NAALAD2 (0.69) NAALAD2
SCHEMBL1374181 0.88 NAALAD2 (0.69) NAALAD2
SCHEMBL30584647 0.88 OPRD1 (0.53) NAALAD2OPRD1OPRM1OPRK1
SCHEMBL30744159 0.87 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL29448569 0.87 OPRD1 (0.64) OPRD1OPRM1OPRK1

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-116376925-A Main effect gene for controlling cold tolerance of rice in seedling stage, encoding protein and application thereof 广西大学 2023-07-04 — — CN disclosed
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