SCHEMBL27233241

SCHEMBL27233241

NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ MDM2 Q00987 6/20 0.46
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CASP3 P42574 1/20 0.42

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
SCHEMBL30667528 1.00 TLR2 (0.50) TLR2KMT2AMDM2MDM4TP53
SCHEMBL27233245 1.00 TLR2 (0.50) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29561038 0.98 TLR2 (0.51) TLR2KMT2AMDM2MDM4TP53
Trifluoroacetic Acid SCHEMBL30341688 0.95 MDM2 (0.48) TLR2KMT2AMDM2MDM4TP53
SCHEMBL31168857 0.92 TLR2 (0.48) TLR2KMT2AMDM2MDM4TP53
SCHEMBL30395747 0.89 TLR2 (0.49) TLR2KMT2AMDM2
SCHEMBL30395722 0.89 TLR2 (0.49) TLR2KMT2AMDM2
SCHEMBL29962125 0.88 KMT2A (0.55) TLR2KMT2AMDM2MDM4TP53
SCHEMBL3624369 0.88 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53
SCHEMBL29865029 0.88 TLR2 (0.58) TLR2KMT2AMDM2MDM4TP53

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-4378944-A1 COMPOUND HAVING PHOTOCLEAVABLE SITE, LINKER, AND SCREENING METHOD USING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-06-05 — — EP disclosed
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