SCHEMBL3748615

SCHEMBL3748615

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

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.68
MME P08473 3/20 0.58
BACE1 P56817 4/20 0.56
SLC15A1 P46059 1/20 0.55
BACE2 Q9Y5Z0 1/20 0.54
ACE P12821 2/20 0.53
CPA1 P15085 2/20 0.53
ACE2 Q9BYF1 2/20 0.53

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
SCHEMBL29602993 1.00 NAALAD2 (0.68) NAALAD2MMEBACE1SLC15A1BACE2
SCHEMBL2980529 1.00 NAALAD2 (0.68) NAALAD2MMEBACE1SLC15A1BACE2
SCHEMBL3732243 1.00 NAALAD2 (0.68) NAALAD2MMEBACE1SLC15A1BACE2
SCHEMBL27914476 1.00 NAALAD2 (0.68) NAALAD2MMEBACE1SLC15A1BACE2
SCHEMBL8821940 0.97 NAALAD2 (0.64) NAALAD2MMEBACE1SLC15A1BACE2
SCHEMBL29827935 0.96 NAALAD2 (0.67) NAALAD2MMEBACE1BACE2
SCHEMBL29469738 0.95 NAALAD2 (0.61) NAALAD2MMEBACE1BACE2
SCHEMBL29603574 0.94 NAALAD2 (0.60) NAALAD2MMEBACE1BACE2
Trifluoroacetic Acid SCHEMBL29617362 0.94 NAALAD2 (0.60) NAALAD2MMEBACE1SLC15A1BACE2
SCHEMBL29531169 0.94 NAALAD2 (0.60) NAALAD2MMEBACE1BACE2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130309697-A1 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME MITCHELL MATTHEW W (US) 2013-11-21 US disclosed
US-8518650-B2 Biomarkers for prostate cancer and methods using the same METABOLON, INC. (US) 2013-08-27 US disclosed
US-20100292331-A1 Biomarkers for Prostate Cancer and Methods Using the Same METABALON, INC. (US) 2010-11-18 US disclosed