SCHEMBL8616545

SCHEMBL8616545

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 5/20 0.53
CASP7 P55210 2/20 0.53
CASP1 P29466 4/20 0.52
CASP9 P55211 3/20 0.52
CTSB P07858 5/20 0.49
CTSK P43235 4/20 0.49
F2 P00734 2/20 0.48
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
CASP10 Q92851 1/20 0.47
REN P00797 2/20 0.47
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSD P07339 1/20 0.43
MME P08473 1/20 0.43

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
SCHEMBL8613317 0.94 CTSB (0.49) CASP3CASP7CASP1CASP9CTSB
SCHEMBL8613765 0.90 CTSB (0.51) CASP3CASP7CASP1CASP9CTSB
SCHEMBL8613599 0.88 CTSD (0.56) CASP3CASP7CASP1CASP9CTSB
SCHEMBL8619113 0.87 CTSB (0.48) CASP3CASP7CASP1CASP9CTSB
SCHEMBL8613619 0.85 CTSD (0.53) CASP3CASP7CASP1CASP9CTSB
SCHEMBL8613805 0.85 CTSB (0.51) CASP3CASP7CASP1CASP9CTSB
SCHEMBL8614987 0.84 CA2 (0.57) CASP3CASP7CASP1CASP9CTSB
SCHEMBL8614145 0.83 CTSB (0.60) CASP3CASP7CASP1CASP9CTSB
SCHEMBL8614143 0.83 CTSB (0.60) CASP3CASP7CASP1CASP9CTSB
Hydrochloric Acid SCHEMBL8612178 0.83 CTSD (0.51) CASP3CASP7CASP1CASP9CTSB

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
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed