SCHEMBL7693003

SCHEMBL7693003

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCCc1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.56
KLK5 Q9Y337 2/20 0.56
MAPT P10636 1/20 0.56
CA1 P00915 2/20 0.54
CA2 P00918 1/20 0.54
CPB1 P15086 1/20 0.51
CPB2 Q96IY4 1/20 0.51
CTSK P43235 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL5996732 0.88 CTSK (0.61) KLK7KLK5MAPTCA1CA2
SCHEMBL30902907 0.87 MAPT (0.65) KLK7KLK5MAPTCPB1CPB2
SCHEMBL23420126 0.85 MAPT (0.63) KLK7KLK5MAPTCPB1CPB2
SCHEMBL12148814 0.85 MAPT (0.62) KLK7KLK5MAPTCPB1CPB2
SCHEMBL30902797 0.85 MAPT (0.62) KLK7KLK5MAPTCPB1CPB2
SCHEMBL5779877 0.85 KLK7 (0.52) KLK7KLK5MAPTCA1CA2
SCHEMBL20542949 0.85 SIRT2 (0.65) KLK7KLK5MAPT
SCHEMBL20543102 0.85 SIRT2 (0.65) KLK7KLK5MAPT
SCHEMBL20542807 0.85 SIRT2 (0.65) KLK7KLK5MAPT
SCHEMBL20542810 0.85 SIRT2 (0.65) KLK7KLK5MAPT

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
WO-2002026697-A2 AROMATIC DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES PHARMACOR, INC. (CA) 2002-04-04 WO disclosed