SCHEMBL11104635

SCHEMBL11104635

C[C@H](NC(=O)c1ccccc1C(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.55
PREP P48147 2/20 0.54
FAP Q12884 2/20 0.54
LMNA P02545 1/20 0.51
ACE2 Q9BYF1 4/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL29749309 0.86 ACE (0.71) ACEPREPFAPACE2
SCHEMBL3472327 0.86 ACE (0.71) ACEPREPFAPACE2
SCHEMBL11435575 0.86 ACE (0.71) ACEPREPFAPACE2
SCHEMBL22209483 0.86 PREP (0.52) ACEPREPFAPLMNAACE2
SCHEMBL7360461 0.85 ACE (0.49) ACEPREPFAPLMNAACE2
SCHEMBL11098749 0.84 ACE (0.49) ACEPREPFAPLMNAACE2
SCHEMBL3470492 0.84 ACE (0.49) ACEPREPFAPLMNAACE2
SCHEMBL11101315 0.84 PREP (0.48) ACEPREPFAPLMNAACE2
SCHEMBL7362109 0.83 ACE (0.48) ACEPREPFAPLMNAACE2
SCHEMBL8718290 0.83 SMYD3 (0.53) ACEPREPFAPLMNAACE2

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
US-4456595-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-06-26 US disclosed