SCHEMBL28848429

SCHEMBL28848429

CC(C)C[C@@H]([C@H](O)CNCC#N)N(C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.36
CTSK P43235 7/20 0.36
CTSL P07711 6/20 0.36
CTSB P07858 2/20 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
SCHEMBL28848441 0.77 BCHE (0.42)
SCHEMBL28953789 0.71 L3MBTL1 (0.41)
SCHEMBL5420439 0.68 DPP4 (0.34) CTSSCTSK
SCHEMBL14910117 0.68 RNPEP (0.33)
SCHEMBL609656 0.68 ANPEP (0.42)
SCHEMBL9134976 0.67 CTSS (0.44) CTSSCTSKCTSLCTSB
SCHEMBL9134972 0.67 CTSS (0.44) CTSSCTSKCTSLCTSB
SCHEMBL686359 0.67 CCR2 (0.33)
SCHEMBL686358 0.67 CCR2 (0.33)
SCHEMBL5221576 0.65 NPC1 (0.42)

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-114957053-A Oxoethylene compound or pharmaceutically acceptable salt thereof, preparation method and application thereof, pharmaceutical composition and application thereof 中国医学科学院医药生物技术研究所 2022-08-30 CN disclosed