SCHEMBL30914618

SCHEMBL30914618

NNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ APC P25054 3/20 0.51
▸ CTSS P25774 4/20 0.47
▸ CTSL P07711 3/20 0.47
▸ MME P08473 1/20 0.47
▸ ECE1 P42892 1/20 0.47
▸ CTSK P43235 3/20 0.45
▸ CTSB P07858 2/20 0.45

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
SCHEMBL30914622 0.90 SMN1; SMN2 (0.58) SMN1; SMN2CTSSCTSLMMEECE1
SCHEMBL10746514 0.88 SMN1; SMN2 (0.56) SMN1; SMN2CTSSCTSLMMEECE1
SCHEMBL10739937 0.88 SMN1; SMN2 (0.56) SMN1; SMN2CTSSCTSLMMEECE1
SCHEMBL29437121 0.85 SMN1; SMN2 (0.62) SMN1; SMN2CTSSCTSLMMEECE1
SCHEMBL12109818 0.85 SMN1; SMN2 (0.54) SMN1; SMN2CTSSCTSLMMEECE1
SCHEMBL15385230 0.84 SMN1; SMN2 (0.53) SMN1; SMN2APCCTSSCTSLMME
SCHEMBL8496964 0.84 SMN1; SMN2 (0.61) SMN1; SMN2CTSSCTSLMMEECE1
SCHEMBL36611 0.84 SMN1; SMN2 (0.61) SMN1; SMN2CTSSCTSLMMEECE1
SCHEMBL10740994 0.84 APC (0.59) SMN1; SMN2APCCTSSCTSLMME
SCHEMBL10744918 0.84 APC (0.59) SMN1; SMN2APCCTSSCTSLMME

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
CN-118063540-A Solid-phase polypeptide synthesis method based on aqueous phase 国科大杭州高等研究院 2024-05-24 — — CN disclosed
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