SCHEMBL31307731

SCHEMBL31307731

C=CCOC(=O)[C@H](CN)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ CASP1 P29466 2/20 0.44
▸ TLR2 O60603 2/20 0.43

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
SCHEMBL13908450 1.00 KMT2A (0.52) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL26008669 1.00 KMT2A (0.52) KMT2AMDM4TP53CASP3EPHX2
Hydrochloric Acid SCHEMBL25357086 0.99 KMT2A (0.51) KMT2AMDM4TP53CASP3EPHX2
Hydrochloric Acid SCHEMBL25358729 0.99 KMT2A (0.51) KMT2AMDM4TP53CASP3EPHX2
Hydrochloric Acid SCHEMBL25357082 0.99 KMT2A (0.51) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL29775586 0.91 KMT2A (0.50) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL31490910 0.91 KMT2A (0.50) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL29824847 0.90 MDM4 (0.48) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL3421848 0.90 MDM4 (0.48) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL31000608 0.90 MDM4 (0.48) KMT2AMDM4TP53CASP3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4725957-A1 GROUP OF CYCLIC ALKALINE LIPOPEPTIDE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2026-04-15 — — EP disclosed
WO-2024250929-A1 GROUP OF CYCLIC ALKALINE LIPOPEPTIDE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国医学科学院医药生物技术研究所 2024-12-12 — — WO disclosed
CN-119101129-A Cyclic alkaline lipopeptide compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-12-10 — — CN disclosed
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