SCHEMBL28607136

SCHEMBL28607136

CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NN

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.59
CASP7 P55210 1/20 0.59
CASP1 P29466 2/20 0.56
CASP9 P55211 1/20 0.56
REN P00797 2/20 0.56
CTSL P07711 4/20 0.54
CTSB P07858 3/20 0.54
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54
MME P08473 1/20 0.53
ECE1 P42892 1/20 0.53
CA2 P00918 1/20 0.52
CA5A P35218 1/20 0.52
CTSD P07339 1/20 0.52
TACR1 P25103 2/20 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
SCHEMBL28607135 1.00 CASP3 (0.59) CASP3CASP7CASP1CASP9REN
SCHEMBL22413453 0.90 CASP3 (0.58) CASP3CASP7CASP1CASP9REN
SCHEMBL8612642 0.90 ECE1 (0.64) CASP3CASP7CASP1CASP9REN
SCHEMBL28252140 0.90 ECE1 (0.64) CASP3CASP7CASP1CASP9REN
SCHEMBL6271137 0.89 CASP3 (0.64) CASP3CASP7CASP1CASP9REN
SCHEMBL6534667 0.89 TSHR (0.62) CASP3CASP7CASP1CASP9REN
SCHEMBL7021977 0.89 TACR1 (0.64) CTSLCTSBCTSSCTSKTACR1
SCHEMBL25287172 0.85 ECE1 (0.61) CASP3CASP7CTSLCTSBCTSS
SCHEMBL7269151 0.85 ALDH1A1 (0.60) CASP3CASP7CTSLCTSBCTSS
SCHEMBL3058668 0.85 ECE1 (0.61) CASP3CASP7CTSLCTSBCTSS

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
CN-108794353-B Application of compound as blocking reagent of glycosyl on antibody 嵊州宝康医疗科技有限公司 2021-08-03 CN disclosed
CN-108794353-B Application of compound as blocking reagent of glycosyl on antibody 嵊州宝康医疗科技有限公司 2021-08-03 CN disclosed