SCHEMBL31427181

SCHEMBL31427181

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.60
▸ TP53 P04637 3/20 0.60
▸ CASP3 P42574 2/20 0.55
▸ MDM2 Q00987 5/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ SLC17A5 Q9NRA2 1/20 0.50
▸ TLR2 O60603 1/20 0.49

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
SCHEMBL31348872 1.00 MDM4 (0.60) MDM4TP53CASP3MDM2KMT2A
SCHEMBL21639432 1.00 MDM4 (0.60) MDM4TP53CASP3MDM2KMT2A
SCHEMBL25357928 1.00 MDM4 (0.60) MDM4TP53CASP3MDM2KMT2A
SCHEMBL18191950 1.00 MDM4 (0.60) MDM4TP53CASP3MDM2KMT2A
SCHEMBL21639211 0.90 MDM4 (0.58) MDM4TP53CASP3MDM2KMT2A
SCHEMBL21639208 0.90 MDM4 (0.58) MDM4TP53CASP3MDM2KMT2A
SCHEMBL8895610 0.89 MDM4 (0.62) MDM4TP53CASP3MDM2KMT2A
SCHEMBL242522 0.88 KMT2A (0.51) MDM4TP53CASP3MDM2KMT2A
SCHEMBL242521 0.88 KMT2A (0.51) MDM4TP53CASP3MDM2KMT2A
SCHEMBL30092486 0.88 KMT2A (0.51) MDM4TP53CASP3MDM2KMT2A

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-119866342-A Cyclic peptides for capturing interleukin-1 beta 默沙东有限责任公司 2025-04-22 — — CN disclosed
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