SCHEMBL28359770

SCHEMBL28359770

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.62
▸ PTPN1 P18031 3/20 0.52
▸ TLR2 O60603 2/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ MDM4 O15151 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MDM2 Q00987 2/20 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
SCHEMBL28359771 1.00 CASP3 (0.62) CASP3PTPN1TLR2KMT2AMDM4
SCHEMBL14610886 0.96 CASP3 (0.59) CASP3PTPN1TLR2KMT2AMDM4
SCHEMBL29431036 0.91 CASP3 (0.53) CASP3PTPN1TLR2KMT2AMDM4
SCHEMBL13462127 0.91 CASP3 (0.59) CASP3PTPN1TLR2KMT2AMDM4
SCHEMBL31317732 0.90 CASP3 (0.60) CASP3TLR2KMT2AMDM4TP53
SCHEMBL29709561 0.90 CASP3 (0.70) CASP3KMT2AMDM4TP53MDM2
SCHEMBL31560034 0.90 PTPN1 (0.53) CASP3PTPN1TLR2KMT2AMDM4
SCHEMBL29412684 0.90 PTPN1 (0.53) CASP3PTPN1TLR2KMT2AMDM4
SCHEMBL21713266 0.89 CASP3 (0.56) CASP3PTPN1KMT2AMDM4TP53
SCHEMBL21713268 0.89 CASP3 (0.56) CASP3PTPN1KMT2AMDM4TP53

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-110831633-A Peptide linker and cryptophycin conjugate for therapy and preparation thereof 赛诺菲 2020-02-21 — — CN disclosed
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