SCHEMBL24864483

SCHEMBL24864483

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NI)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FURIN P09958 9/20 0.43
FOLH1 Q04609 4/20 0.38
SIRT5 Q9NXA8 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL29342070 0.90 FURIN (0.42) FURINHTT
SCHEMBL29339853 0.90 FURIN (0.43) FURINSIRT5SMN1; SMN2HTTBACE1
SCHEMBL29342071 0.90 FURIN (0.43) FURINSIRT5BACE1
SCHEMBL31559077 0.86 SIRT5 (0.57) SIRT5
SCHEMBL17133811 0.86 FURIN (0.45) FURINSMN1; SMN2HTT
SCHEMBL17133812 0.86 FURIN (0.45) FURINSMN1; SMN2HTT
SCHEMBL29342072 0.86 FURIN (0.45) FURINSMN1; SMN2HTT
SCHEMBL24864662 0.86 FURIN (0.44) FURINSIRT5SMN1; SMN2HTTBACE1
SCHEMBL24864481 0.85 FURIN (0.43) FURINSMN1; SMN2HTTBACE1
SCHEMBL29345954 0.85 FURIN (0.44) FURINSMN1; SMN2HTT

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
WO-2023280227-A2 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2023-01-12 WO disclosed