SCHEMBL29793310

SCHEMBL29793310

O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ MDM4 O15151 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ CASP3 P42574 2/20 0.41
▸ TLR2 O60603 2/20 0.41
▸ MDM2 Q00987 5/20 0.41

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
SCHEMBL30040454 0.91 MDM4 (0.45) KMT2AMDM4TP53CASP3TLR2
SCHEMBL1405811 0.89 MDM4 (0.54) KMT2AMDM4TP53CASP3MDM2
SCHEMBL29401938 0.89 MDM4 (0.54) KMT2AMDM4TP53CASP3MDM2
SCHEMBL1405816 0.89 MDM4 (0.54) KMT2AMDM4TP53CASP3MDM2
SCHEMBL29399772 0.89 MDM4 (0.54) KMT2AMDM4TP53CASP3MDM2
SCHEMBL29908063 0.89 MDM4 (0.54) KMT2AMDM4TP53CASP3MDM2
SCHEMBL1486208 0.89 MDM4 (0.54) KMT2AMDM4TP53CASP3MDM2
SCHEMBL29353891 0.89 MDM4 (0.54) KMT2AMDM4TP53CASP3MDM2
Hydrochloric Acid SCHEMBL30912894 0.88 MDM4 (0.53) MDM4TP53CASP3TLR2MDM2
SCHEMBL9596624 0.84 CASP3 (0.49) KMT2AMDM4TP53CASP3MDM2

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-4306533-A1 SYNTHETIC PEPTIDE AND APPLICATION THEREOF Wuhan Innerse Pharmaceutical Inc. (CN) 2024-01-17 — — EP disclosed
US-20240002435-A1 SYNTHETIC PEPTIDE AND APPLICATION THEREOF WUHAN INNERSE PHARMACEUTICAL INC. (CN) 2024-01-04 — — US disclosed
WO-2022188877-A1 SYNTHETIC PEPTIDE AND APPLICATION THEREOF 武汉英纳氏药业有限公司 2022-09-15 — — WO disclosed
CN-113150065-B Synthetic peptide and application thereof 武汉英纳氏药业有限公司 2022-07-08 — — CN disclosed
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