SCHEMBL8420082

SCHEMBL8420082

C[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
FOLH1 Q04609 7/20 0.45
NAALAD2 Q9Y3Q0 4/20 0.45
FPR2 P25090 1/20 0.44
RIMKLA Q8IXN7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL8420087 1.00 CA1 (0.46) CA1CA2FOLH1NAALAD2FPR2
SCHEMBL7676506 0.90 HPGD (0.43) SMN1; SMN2GAA
SCHEMBL8004412 0.90 HPGD (0.43) SMN1; SMN2GAA
SCHEMBL7673756 0.90 HPGD (0.43) SMN1; SMN2GAA
SCHEMBL1824097 0.85 GRN (0.61) CA1CA2FPR2SMN1; SMN2GRN
SCHEMBL1824098 0.85 GRN (0.61) CA1CA2FPR2SMN1; SMN2GRN
SCHEMBL1823125 0.82 FPR2 (0.68) CA1CA2FPR2
SCHEMBL1824158 0.82 FPR2 (0.68) CA1CA2FPR2
SCHEMBL1823124 0.82 FPR2 (0.68) CA1CA2FPR2
SCHEMBL7681041 0.80 CASP3 (0.44) SMN1; SMN2GAA

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-0942923-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022493-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed