SCHEMBL8613004

SCHEMBL8613004

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(=O)[C@H](Cc1ccccc1)NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.55
CASP7 P55210 1/20 0.55
CA2 P00918 1/20 0.55
CA5A P35218 1/20 0.55
CASP1 P29466 2/20 0.53
CASP9 P55211 1/20 0.53
CTSL P07711 3/20 0.52
CTSB P07858 3/20 0.52
CTSS P25774 3/20 0.52
CTSK P43235 3/20 0.52
REN P00797 1/20 0.52
CTSD P07339 2/20 0.51
MME P08473 1/20 0.49
ECE1 P42892 1/20 0.49
CA1 P00915 1/20 0.49
CA4 P22748 1/20 0.49
ACE P12821 1/20 0.48
TACR1 P25103 2/20 0.47
TGM2 P21980 1/20 0.47

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
SCHEMBL8614987 0.95 CA2 (0.57) CASP3CASP7CA2CA5ACASP1
SCHEMBL8615292 0.94 REN (0.57) CASP3CASP7CA2CA5ACASP1
SCHEMBL8617212 0.92 CASP3 (0.53) CASP3CASP7CA2CA5ACASP1
SCHEMBL8613765 0.91 CTSB (0.51) CASP3CASP7CA2CA5ACASP1
SCHEMBL8616604 0.87 CA5A (0.57) CA5ACTSLCTSBCTSSCTSK
SCHEMBL8619113 0.87 CTSB (0.48) CASP3CASP7CA2CA5ACASP1
SCHEMBL8612642 0.86 ECE1 (0.64) CASP3CASP7CASP1CASP9CTSL
SCHEMBL28252140 0.86 ECE1 (0.64) CASP3CASP7CASP1CASP9CTSL
SCHEMBL28607136 0.85 CASP3 (0.59) CASP3CASP7CA2CA5ACASP1
SCHEMBL28607135 0.85 CASP3 (0.59) CASP3CASP7CA2CA5ACASP1

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