SCHEMBL27094843

SCHEMBL27094843

CCC[C@@H](NC(=O)CC[C@@H](NC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.51
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MDM2 Q00987 1/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ CASP3 P42574 1/20 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
SCHEMBL24084089 0.94 MDM4 (0.51) TLR2MDM4TP53MDM2KMT2A
SCHEMBL31133584 0.92 PTPN1 (0.49) TLR2MDM4TP53MDM2KMT2A
SCHEMBL30779239 0.92 PTPN1 (0.49) TLR2MDM4TP53MDM2KMT2A
SCHEMBL20732316 0.92 PTPN1 (0.49) TLR2MDM4TP53MDM2KMT2A
SCHEMBL22069879 0.92 PTPN1 (0.49) TLR2MDM4TP53MDM2KMT2A
SCHEMBL22069859 0.92 PTPN1 (0.49) TLR2MDM4TP53MDM2KMT2A
SCHEMBL20732318 0.92 PTPN1 (0.49) TLR2MDM4TP53MDM2KMT2A
SCHEMBL25845385 0.90 TLR2 (0.54) TLR2MDM4TP53MDM2KMT2A
SCHEMBL23447188 0.90 TLR2 (0.56) TLR2MDM4TP53MDM2KMT2A
SCHEMBL21837757 0.90 TLR2 (0.49) TLR2MDM4TP53MDM2KMT2A

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-3666787-B1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE SUMITOMO PHARMA CO LTD (JP) 2024-02-21 — — EP disclosed
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