SCHEMBL8528570

SCHEMBL8528570

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.44
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
HTT P42858 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
TGM2 P21980 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL8120934 0.78 HTT (0.48) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL8070175 0.77 FOLH1 (0.42) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL7600672 0.77 FOLH1 (0.44) FOLH1CPB1CPB2HTTSLC1A3
SCHEMBL8112045 0.76 FOLH1 (0.45) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL8528566 0.76 PSMB1 (0.53) CPB1CPB2HTTSMN1; SMN2
SCHEMBL8114425 0.75 ATM (0.46) FOLH1HTTSLC1A3SLC1A1
SCHEMBL5406795 0.75 FOLH1 (0.54) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL8119982 0.75 FOLH1 (0.45) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL8126909 0.75 CASP1 (0.43) FOLH1HTTSLC1A3SLC1A1LMNA
SCHEMBL8526876 0.74 FOLH1 (0.43) FOLH1HTTSLC1A3SLC1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed