SCHEMBL31080829

SCHEMBL31080829

O=C(N[C@H](C(=O)O)[C@@H](O)c1ccncc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.48
▸ TP53 P04637 3/20 0.48
▸ CASP3 P42574 4/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ EPHX2 P34913 1/20 0.43
▸ MDM2 Q00987 5/20 0.42

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
SCHEMBL31000492 1.00 MDM4 (0.48) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL31000491 0.92 CASP3 (0.50) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL21243785 0.92 CASP3 (0.50) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL9995014 0.92 CASP3 (0.50) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL17703894 0.92 CASP3 (0.50) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL12069026 0.92 CASP3 (0.50) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL31000719 0.88 CASP3 (0.48) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL31000617 0.88 CASP3 (0.48) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL31000539 0.85 KMT2A (0.46) MDM4TP53CASP3KMT2AEPHX2
SCHEMBL31000630 0.85 KMT2A (0.46) MDM4TP53CASP3KMT2AEPHX2

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-4695271-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA Merck Sharp & Dohme LLC (US) 2026-02-18 — — EP disclosed
WO-2024215820-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2024-10-17 — — WO disclosed
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