SCHEMBL30567132

SCHEMBL30567132

Cc1ccc(Sc2ccccc2NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.41
▸ PTPN1 P18031 5/20 0.39
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ TLR2 O60603 1/20 0.37

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
SCHEMBL25384740 0.90 PTPN1 (0.46) MDM2PTPN1MDM4TP53TLR2
SCHEMBL25384735 0.90 PTPN1 (0.46) MDM2PTPN1MDM4TP53TLR2
SCHEMBL29363204 0.83 MDM2 (0.44) MDM2PTPN1MDM4TP53BACE1
SCHEMBL21175067 0.81 MDM2 (0.52) MDM2PTPN1MDM4TP53BACE1
SCHEMBL21175068 0.81 MDM2 (0.52) MDM2PTPN1MDM4TP53BACE1
SCHEMBL16093056 0.80 MDM2 (0.48) MDM2PTPN1MDM4TP53TLR2
SCHEMBL10078351 0.80 MDM2 (0.48) MDM2PTPN1MDM4TP53TLR2
SCHEMBL27728772 0.79 MDM4 (0.49) MDM2MDM4TP53TLR2
SCHEMBL27009319 0.79 PTPN1 (0.47) MDM2PTPN1MDM4TP53
SCHEMBL23728660 0.79 MDM2 (0.53) MDM2PTPN1MDM4TP53TLR2

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-4490142-A2 PCNA INHIBITORS AND USES THEREOF City of Hope (US) 2025-01-15 — — EP disclosed
WO-2023172880-A2 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2023-09-14 — — WO disclosed
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