SCHEMBL8612642

SCHEMBL8612642

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.64
MME P08473 3/20 0.64
CASP3 P42574 3/20 0.62
CASP7 P55210 1/20 0.62
CASP1 P29466 2/20 0.59
CASP9 P55211 1/20 0.59
ACE P12821 2/20 0.57
REN P00797 1/20 0.56
CTSD P07339 1/20 0.55
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
CTSS P25774 2/20 0.54
CTSK P43235 2/20 0.54

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
SCHEMBL28252140 1.00 ECE1 (0.64) ECE1MMECASP3CASP7CASP1
SCHEMBL6271137 0.99 CASP3 (0.64) ECE1MMECASP3CASP7CASP1
SCHEMBL25287172 0.95 ECE1 (0.61) ECE1MMECASP3CASP7CTSD
SCHEMBL3058668 0.95 ECE1 (0.61) ECE1MMECASP3CASP7CTSD
SCHEMBL6534667 0.92 TSHR (0.62) ECE1MMECASP3CASP7CASP1
SCHEMBL22413453 0.91 CASP3 (0.58) ECE1MMECASP3CASP7CASP1
SCHEMBL8588907 0.91 F2 (0.55) ECE1MMECASP3CASP7CTSD
SCHEMBL8585984 0.91 ECE1 (0.57) ECE1MMECASP3CASP7CTSD
SCHEMBL28607136 0.90 CASP3 (0.59) ECE1MMECASP3CASP7CASP1
SCHEMBL28607135 0.90 CASP3 (0.59) ECE1MMECASP3CASP7CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794353-A A kind of compound is used as the application of the closed reagent of glycosyl on antibody 嵊州宝康医疗科技有限公司 2018-11-13 CN claimed
CN-108794353-A A kind of compound is used as the application of the closed reagent of glycosyl on antibody 嵊州宝康医疗科技有限公司 2018-11-13 CN disclosed
CN-108794353-A A kind of compound is used as the application of the closed reagent of glycosyl on antibody 嵊州宝康医疗科技有限公司 2018-11-13 CN disclosed
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed