SCHEMBL21664276

SCHEMBL21664276

O=COCCSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.53
▸ MDM4 O15151 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ CASP3 P42574 3/20 0.48
▸ TLR2 O60603 2/20 0.46
▸ MDM2 Q00987 5/20 0.44

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
SCHEMBL19888241 0.86 SLC17A5 (0.58) SLC17A5MDM4TP53CASP3TLR2
SCHEMBL16801787 0.86 SLC17A5 (0.53) SLC17A5MDM4TP53CASP3TLR2
SCHEMBL30141766 0.86 SLC17A5 (0.53) SLC17A5MDM4TP53CASP3TLR2
SCHEMBL18708304 0.85 SLC17A5 (0.52) SLC17A5MDM4TP53CASP3TLR2
SCHEMBL30141774 0.85 SLC17A5 (0.52) SLC17A5MDM4TP53CASP3TLR2
SCHEMBL16801838 0.84 SLC17A5 (0.55) SLC17A5MDM4TP53CASP3TLR2
SCHEMBL31682399 0.84 SLC17A5 (0.53) SLC17A5MDM4TP53CASP3TLR2
SCHEMBL4719374 0.83 TLR2 (0.56) SLC17A5MDM4TP53CASP3TLR2
SCHEMBL31682400 0.83 SLC17A5 (0.53) SLC17A5MDM4TP53CASP3TLR2
SCHEMBL1486194 0.83 SLC17A5 (0.58) SLC17A5MDM4TP53CASP3TLR2

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-3604271-A1 PEPTIDES FOR AMINO ACID AND PEPTIDE CONJUGATES AND CONJUGATION PROCESS Auckland Uniservices Limited (NZ) 2020-02-05 — — EP disclosed
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