SCHEMBL31133584

SCHEMBL31133584

CC(C)(C)OC(=O)C(CCC(=O)O)NC(=O)CCC(NC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.49
▸ TLR2 O60603 2/20 0.49
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ MDM2 Q00987 1/20 0.47
▸ CASP3 P42574 1/20 0.47

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
SCHEMBL20732318 1.00 PTPN1 (0.49) PTPN1TLR2MDM4TP53KMT2A
SCHEMBL20732316 1.00 PTPN1 (0.49) PTPN1TLR2MDM4TP53KMT2A
SCHEMBL22069879 1.00 PTPN1 (0.49) PTPN1TLR2MDM4TP53KMT2A
SCHEMBL22069859 1.00 PTPN1 (0.49) PTPN1TLR2MDM4TP53KMT2A
SCHEMBL30779239 1.00 PTPN1 (0.49) PTPN1TLR2MDM4TP53KMT2A
SCHEMBL23463699 0.97 TLR2 (0.53) PTPN1TLR2MDM4TP53KMT2A
SCHEMBL30069166 0.97 TLR2 (0.53) PTPN1TLR2MDM4TP53KMT2A
SCHEMBL24729097 0.97 TLR2 (0.53) PTPN1TLR2MDM4TP53KMT2A
SCHEMBL29162900 0.97 TLR2 (0.53) PTPN1TLR2MDM4TP53KMT2A
SCHEMBL1709129 0.96 KMT2A (0.52) PTPN1TLR2MDM4TP53KMT2A

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
CN-111032676-B Antibody drug complexes comprising hamiltin derivatives 住友制药株式会社 2024-08-23 — — CN disclosed
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