SCHEMBL31212515

SCHEMBL31212515

Cc1ccc(C(NCCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N[C@@H](CCCCN)C(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 6/20 0.51
▸ TLR2 O60603 4/20 0.49
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PTPN1 P18031 3/20 0.42
▸ KMT2A Q03164 1/20 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
SCHEMBL31212513 1.00 MDM2 (0.51) MDM2TLR2MDM4TP53PTPN1
SCHEMBL2288397 0.93 MDM2 (0.57) MDM2TLR2MDM4TP53KMT2A
SCHEMBL436024 0.93 MDM2 (0.57) MDM2TLR2MDM4TP53KMT2A
SCHEMBL29362301 0.93 MDM2 (0.57) MDM2TLR2MDM4TP53KMT2A
SCHEMBL29792115 0.93 MDM2 (0.57) MDM2TLR2MDM4TP53KMT2A
SCHEMBL31681399 0.93 MDM2 (0.57) MDM2TLR2MDM4TP53KMT2A
SCHEMBL6158363 0.93 MDM2 (0.57) MDM2TLR2MDM4TP53KMT2A
SCHEMBL29547181 0.93 MDM2 (0.57) MDM2TLR2MDM4TP53KMT2A
SCHEMBL31677955 0.91 MDM2 (0.51) MDM2MDM4TP53PTPN1
SCHEMBL21192401 0.90 MDM2 (0.58) MDM2TLR2MDM4TP53KMT2A

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
EP-3027228-B1 MODULAR IMAGING AGENTS CONTAINING AMINO ACIDS AND PEPTIDES ROCHESTER INSTITUTE TECH (US) 2024-10-02 — — EP disclosed
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