SCHEMBL31307243

SCHEMBL31307243

C[C@@H](O)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ CAPN1 P07384 4/20 0.43
▸ CTSB P07858 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ STAT3 P40763 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ GRB2 P62993 1/20 0.39

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
SCHEMBL29931072 0.86 F2 (0.45) OPRM1NTSR1GRB2
SCHEMBL31670614 0.84 CAPN1 (0.42) CALCRLCAPN1CTSBSLC6A2STAT3
SCHEMBL29906299 0.83 CALCRL (0.47) CALCRLSLC6A2STAT3OPRM1NTSR1
SCHEMBL7400113 0.83 CALCRL (0.51) CALCRLKEAP1SLC6A2STAT3GRB2
SCHEMBL30123263 0.82 SLC6A2 (0.52) CALCRLCAPN1CTSBSLC6A2STAT3
SCHEMBL29638071 0.82 CAPN1 (0.47) CALCRLCAPN1CTSBSLC6A2STAT3
SCHEMBL30185036 0.81 CAPN1 (0.49) CALCRLCAPN1CTSBSLC6A2STAT3
SCHEMBL31497335 0.81 KEAP1 (0.55) CALCRLKEAP1CAPN1CTSBSTAT3
SCHEMBL30185028 0.81 CAPN1 (0.47) CALCRLCAPN1CTSBSLC6A2STAT3
SCHEMBL29641591 0.80 KEAP1 (0.49) CALCRLKEAP1STAT3PTPN1

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-4484955-A1 METHOD FOR SCREENING OF EXTRACELLULAR TISSUE PEPTIDES IN MAMMALIAN TISSUE SAMPLES FOR HEALTH STATUS EVALUATION, DISEASE DIAGNOSTICS AND NEOANTIGEN DISCOVERY Uniwersytet Gdanski (PL) 2025-01-01 — — EP disclosed
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