SCHEMBL8616604

SCHEMBL8616604

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.57
CTSK P43235 10/20 0.56
MMP3 P08254 1/20 0.55
CAPN1 P07384 2/20 0.55
REN P00797 1/20 0.55
CTSL P07711 5/20 0.53
CTSS P25774 4/20 0.53
CTSB P07858 3/20 0.53

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
SCHEMBL8615292 0.94 REN (0.57) CA5ACTSKMMP3CAPN1REN
SCHEMBL8614417 0.91 MMP3 (0.54) CA5AMMP3CAPN1REN
SCHEMBL8613004 0.87 CASP3 (0.55) CA5ACTSKRENCTSLCTSS
SCHEMBL8615556 0.85 CTSK (0.58) CA5ACTSKCAPN1CTSLCTSS
SCHEMBL8614987 0.85 CA2 (0.57) CA5ACTSKMMP3RENCTSL
SCHEMBL8616116 0.85 REN (0.55) CTSKRENCTSLCTSSCTSB
SCHEMBL931659 0.83 CAPN1 (0.69) CTSKCAPN1CTSLCTSB
SCHEMBL8613602 0.83 REN (0.51) CTSKRENCTSS
Hydrochloric Acid SCHEMBL8613309 0.83 ERAP2 (0.47) MMP3
SCHEMBL8617212 0.82 CASP3 (0.53) CA5ACTSKRENCTSLCTSS

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