SCHEMBL11069816

SCHEMBL11069816

O=C(CCC(=O)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.71
ALDH1A1 P00352 1/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.55
ECE1 P42892 1/20 0.54
LMNA P02545 1/20 0.54
MME P08473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
GPR132 Q9UNW8 1/20 0.52
FAAH O00519 2/20 0.52
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL11064886 0.93 ACE (0.62) ACENAALAD2ECE1LMNAMME
SCHEMBL11065217 0.90 ACE (0.60) ACENAALAD2ECE1LMNA
SCHEMBL11067560 0.90 ACE (0.60) ACEALDH1A1NAALAD2ECE1LMNA
SCHEMBL11063947 0.88 ACE (0.60) ACEALDH1A1NAALAD2ECE1LMNA
SCHEMBL11068248 0.87 FPR2 (0.61) ACEALDH1A1
SCHEMBL11351754 0.86 ACE (0.55) ACENAALAD2MME
SCHEMBL17624790 0.86 NAALAD2 (0.68) ACENAALAD2LMNAMMENPSR1
SCHEMBL17261298 0.86 NAALAD2 (0.68) ACENAALAD2LMNAMMENPSR1
SCHEMBL11274788 0.85 ACE (0.53) ACEALDH1A1NAALAD2MMENPSR1
SCHEMBL2806565 0.84 FAAH (0.67) ACENAALAD2FAAH

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-4435329-A ANTIHYPERTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed