SCHEMBL29597168

SCHEMBL29597168

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.44
▸ TLR2 O60603 4/20 0.44
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CTSK P43235 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
SCHEMBL30892068 0.91 PTPN1 (0.49) PTPN1MDM4TP53CTSK
SCHEMBL30578445 0.85 TLR2 (0.48) PTPN1TLR2CTSK
SCHEMBL29597069 0.85 PTPN1 (0.52) PTPN1CTSK
SCHEMBL30945915 0.84 CTSB (0.51) PTPN1MDM4TP53CTSK
SCHEMBL30718998 0.83 TLR2 (0.54) PTPN1TLR2
SCHEMBL1486214 0.83 CASP3 (0.52) MDM4TP53
SCHEMBL30896049 0.83 CASP3 (0.52) MDM4TP53
SCHEMBL119497 0.83 CASP3 (0.52) MDM4TP53
SCHEMBL118209 0.83 CASP3 (0.52) MDM4TP53
SCHEMBL30896048 0.83 CASP3 (0.52) MDM4TP53

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-114437233-A Directional synthesis method of polypeptide dimer 湖北健翔生物制药有限公司 2022-05-06 — — CN disclosed
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