SCHEMBL22541220

SCHEMBL22541220

CC(C)C(NC(=O)C(C)(C)C)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 4/20 0.40
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SIRT2 Q8IXJ6 6/20 0.38
▸ SIRT1 Q96EB6 5/20 0.38
▸ SIRT3 Q9NTG7 3/20 0.38
▸ GRIA1 P42261 1/20 0.37
▸ SIRT5 Q9NXA8 2/20 0.37
▸ MAP1LC3B Q9GZQ8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL25018417 0.93 FURIN (0.40) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL18431308 0.89 FURIN (0.41) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL22546818 0.89 SIRT2 (0.42) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL20798918 0.89 SIRT2 (0.42) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL24451192 0.89 SIRT2 (0.42) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL24450761 0.89 SIRT2 (0.42) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL19389191 0.87 SIRT2 (0.41) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL19340296 0.86 FURIN (0.40) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL25490828 0.86 HTT (0.41) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL18660692 0.86 SIRT2 (0.43) FURINHTTSIRT2SIRT1SIRT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020210692-A1 PROGRAMMABLE POLYMERIC DRUGS SONY CORPORATION (JP) 2020-10-15 — — WO disclosed
WO-2020210689-A1 PROGRAMMABLE POLYMERIC DRUGS SONY CORPORATION (JP) 2020-10-15 — — WO disclosed
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