SCHEMBL8119982

SCHEMBL8119982

NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)N(Cc1ccc(O)cc1)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.45
HTT P42858 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TGM2 P21980 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ANPEP P15144 1/20 0.39
SIRT2 Q8IXJ6 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
SCHEMBL8112045 0.87 FOLH1 (0.45) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8126814 0.84 FOLH1 (0.48) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8120934 0.83 HTT (0.48) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8121290 0.82 SLC1A3 (0.41) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8069648 0.80 FOLH1 (0.44) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8126909 0.80 CASP1 (0.43) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8121355 0.80 TGM2 (0.42) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8526876 0.79 FOLH1 (0.43) FOLH1HTTSLC1A3SLC1A1DPP8
SCHEMBL8114425 0.79 ATM (0.46) FOLH1HTTSLC1A3SLC1A1
SCHEMBL8112530 0.78 OPRM1 (0.44) FOLH1HTTSLC1A3SLC1A1SMN1; SMN2

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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed