SCHEMBL21702350

SCHEMBL21702350

COc1cc(OC)c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC(C[C@@H]3CCCNC3=O)C(=O)C(=O)NC(C)(C)C)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.52
CTSS P25774 4/20 0.52
CTSL P07711 3/20 0.52

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
SCHEMBL23506277 1.00 CTSB (0.52) CTSBCTSSCTSL
SCHEMBL23711179 0.96 CTSL (0.54) CTSBCTSSCTSL
SCHEMBL21702351 0.96 CTSL (0.54) CTSBCTSSCTSL
SCHEMBL21702349 0.92 CTSB (0.52) CTSBCTSSCTSL
SCHEMBL23506567 0.91 CTSB (0.51) CTSBCTSSCTSL
SCHEMBL23711180 0.91 CTSB (0.51) CTSBCTSSCTSL
SCHEMBL21702075 0.89 PYGL (0.53) CTSBCTSSCTSL
SCHEMBL26493770 0.89 PYGL (0.53) CTSBCTSSCTSL
SCHEMBL23506404 0.88 CTSL (0.54) CTSBCTSSCTSL
SCHEMBL21702354 0.88 CTSL (0.54) CTSBCTSSCTSL

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-2020030143-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 中国科学院上海药物研究所 2020-02-13 WO disclosed