SCHEMBL9690449

SCHEMBL9690449

COC(=O)[C@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.48
FOLH1 Q04609 7/20 0.45
RIMKLA Q8IXN7 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
KLK5 Q9Y337 1/20 0.42
NOD1 Q9Y239 3/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PPARD Q03181 2/20 0.40

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
SCHEMBL20081129 0.93 ACE (0.53) ACEFOLH1RIMKLANAALAD2NOD1
SCHEMBL24945914 0.93 ACE (0.53) ACEFOLH1RIMKLANAALAD2NOD1
SCHEMBL2306568 0.90 CTSK (0.47) FOLH1KLK5PPARGPPARACTSS
SCHEMBL2398972 0.90 CTSK (0.47) FOLH1KLK5PPARGPPARACTSS
SCHEMBL6409351 0.90 CTSK (0.47) FOLH1KLK5PPARGPPARACTSS
SCHEMBL16350093 0.88 ACE (0.49) ACEFOLH1RIMKLANAALAD2NOD1
SCHEMBL2769978 0.87 FOLH1 (0.56) ACEFOLH1RIMKLANAALAD2PPARG
SCHEMBL1324835 0.87 FOLH1 (0.56) ACEFOLH1RIMKLANAALAD2PPARG
SCHEMBL1318658 0.87 FOLH1 (0.56) ACEFOLH1RIMKLANAALAD2PPARG
SCHEMBL863895 0.83 CTSK (0.48) FOLH1RIMKLANAALAD2PPARGPPARA

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-0492316-A1 Condensed heterocyclic oligoglutamate derivatives, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1992-07-01 EP disclosed