SCHEMBL31109168

SCHEMBL31109168

N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.34
▸ GSTK1 Q9Y2Q3 1/20 0.34
▸ GLO1 Q04760 2/20 0.32
▸ OPRD1 P41143 6/20 0.30
▸ OPRM1 P35372 5/20 0.30
▸ OPRK1 P41145 1/20 0.30

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
SCHEMBL34464905 0.93 PTGS1 (0.36) PTGS1GSTK1GLO1OPRD1OPRM1
SCHEMBL30627705 0.92 PTGS1 (0.35) PTGS1GSTK1GLO1OPRD1OPRM1
SCHEMBL29630845 0.92 PTGS1 (0.35) PTGS1GSTK1GLO1OPRD1OPRM1
SCHEMBL30666352 0.90 OPRD1 (0.33) PTGS1GSTK1OPRD1OPRM1
SCHEMBL29630518 0.89 OPRD1 (0.37) PTGS1GSTK1OPRD1OPRM1OPRK1
SCHEMBL29630506 0.89 PTGS1 (0.36) PTGS1GSTK1GLO1OPRD1OPRM1
SCHEMBL31006043 0.89 PTGS1 (0.40) PTGS1GSTK1GLO1
SCHEMBL29590400 0.88 OPRD1 (0.35) PTGS1GSTK1GLO1OPRD1OPRM1
SCHEMBL29453407 0.87 ALDH1A1 (0.34) PTGS1GSTK1GLO1OPRD1OPRM1
SCHEMBL30272502 0.87 MME (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4672980-A2 AN ECO-FRIENDLY, SUSTAINABLE FOOD PRESERVATIVE Bountica Ltd. (IL) 2026-01-07 — — EP disclosed
WO-2025151662-A1 MULTI-PATHWAY REPORTER SYSTEM THAT INTERROGATES REPAIR OF DNA DOUBLE-STRAND BREAKS WITH APPLICATIONS FOR DIAGNOSIS AND THERAPEUTIC TREATMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2025-07-17 — — WO disclosed
WO-2025088611-A1 TREATMENT AND PREVENTION OF MICROBIAL INFECTIONS IN THE ORAL CAVITY RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2025-05-01 — — WO disclosed
WO-2024180552-A2 AN ECO-FRIENDLY, SUSTAINABLE FOOD PRESERVATIVE BOUNTICA LTD. (IL) 2024-09-06 — — WO disclosed
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