SCHEMBL9702098

SCHEMBL9702098

CC(C)(C)OC(=O)[C@](N)(Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.58
MAPT P10636 1/20 0.54
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
KLK7 P49862 2/20 0.51
KLK5 Q9Y337 2/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TGM2 P21980 1/20 0.49
ABCB1 P08183 1/20 0.48

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
SCHEMBL9073343 0.87 FOLH1 (0.52) FOLH1MAPTCPB1CPB2KLK7
SCHEMBL3210903 0.85 MAPT (0.68) FOLH1MAPTCPB1CPB2KLK7
SCHEMBL2334326 0.85 MAPT (0.68) FOLH1MAPTCPB1CPB2KLK7
SCHEMBL2334319 0.85 MAPT (0.68) FOLH1MAPTCPB1CPB2KLK7
SCHEMBL9073524 0.85 CA1 (0.55) FOLH1MAPTCPB1CPB2KLK7
SCHEMBL11780018 0.84 FOLH1 (0.52) FOLH1MAPTCPB1CPB2KLK7
SCHEMBL699636 0.83 FOLH1 (0.65) FOLH1MAPTCPB1CPB2KLK7
SCHEMBL1491720 0.83 FOLH1 (0.65) FOLH1MAPTCPB1CPB2KLK7
SCHEMBL2467817 0.83 FOLH1 (0.65) FOLH1MAPTCPB1CPB2KLK7
SCHEMBL5328146 0.82 SIRT2 (0.66) FOLH1MAPTCPB1CPB2KLK7

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-0498941-A2 Peptide skeletal muscle relaxants BOC Health Care, Inc. (US) 1992-08-19 EP disclosed