SCHEMBL22352155

SCHEMBL22352155

CC(C)[C@H](NI)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 8/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT2 Q8IXJ6 9/20 0.43
FURIN P09958 5/20 0.43
SIRT3 Q9NTG7 3/20 0.42
C3AR1 Q16581 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42

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
SCHEMBL25832984 0.84 FURIN (0.35) SIRT1SMN1; SMN2FURINC3AR1SIRT5
SCHEMBL24140485 0.83 SIRT2 (0.45) SIRT1SIRT2FURINSIRT3SIRT5
SCHEMBL22266602 0.81 ALB (0.43) SIRT1SMN1; SMN2FURINSIRT5
SCHEMBL22690704 0.80 FURIN (0.45) SIRT1SMN1; SMN2SIRT2FURINSIRT3
SCHEMBL17133812 0.80 FURIN (0.45) SIRT1SMN1; SMN2SIRT2FURINSIRT3
SCHEMBL17133811 0.80 FURIN (0.45) SIRT1SMN1; SMN2SIRT2FURINSIRT3
SCHEMBL22690700 0.80 FURIN (0.45) SIRT1SMN1; SMN2SIRT2FURINSIRT3
SCHEMBL23760646 0.80 SIRT5 (0.36) SIRT1SMN1; SMN2FURINC3AR1SIRT5
SCHEMBL26431147 0.80 HTT (0.46) SIRT1SMN1; SMN2FURINSIRT5
SCHEMBL24864483 0.79 FURIN (0.43) SMN1; SMN2FURINSIRT5

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-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 WO disclosed