SCHEMBL8613765

SCHEMBL8613765

CC[C@H](C)[C@H](NCCc1ccccc1)C(=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.51
CTSK P43235 6/20 0.51
CASP3 P42574 2/20 0.51
CASP7 P55210 1/20 0.51
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
CTSL P07711 3/20 0.49
CTSS P25774 3/20 0.49
CASP1 P29466 2/20 0.49
CASP9 P55211 1/20 0.49
CA1 P00915 1/20 0.49
REN P00797 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSD P07339 1/20 0.47
MME P08473 2/20 0.46
ECE1 P42892 2/20 0.46
ACE P12821 1/20 0.46

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
SCHEMBL8619113 0.96 CTSB (0.48) CTSBCTSKCASP3CASP7CA2
SCHEMBL8614987 0.94 CA2 (0.57) CTSBCTSKCASP3CASP7CA2
SCHEMBL8613599 0.92 CTSD (0.56) CTSBCTSKCASP3CASP7CTSL
SCHEMBL8613317 0.92 CTSB (0.49) CTSBCTSKCASP3CASP7CTSL
SCHEMBL8613004 0.91 CASP3 (0.55) CTSBCTSKCASP3CASP7CA2
SCHEMBL8616545 0.90 CASP3 (0.53) CTSBCTSKCASP3CASP7CTSL
SCHEMBL8613619 0.90 CTSD (0.53) CTSBCTSKCASP3CASP7CTSL
SCHEMBL8613805 0.89 CTSB (0.51) CTSBCTSKCASP3CASP7CTSL
SCHEMBL8615292 0.88 REN (0.57) CTSBCTSKCASP3CASP7CA2
SCHEMBL8617212 0.87 CASP3 (0.53) CTSBCTSKCASP3CASP7CA2

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