SCHEMBL11548564

SCHEMBL11548564

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.61
ACE P12821 3/20 0.56
CPA1 P15085 3/20 0.56
ACE2 Q9BYF1 3/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.55
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL29525004 1.00 MME (0.61) MMEACECPA1ACE2NAALAD2
SCHEMBL10618864 1.00 MME (0.61) MMEACECPA1ACE2NAALAD2
SCHEMBL30494635 1.00 MME (0.61) MMEACECPA1ACE2NAALAD2
SCHEMBL135367 1.00 MME (0.61) MMEACECPA1ACE2NAALAD2
SCHEMBL668395 1.00 MME (0.61) MMEACECPA1ACE2NAALAD2
SCHEMBL135366 1.00 MME (0.61) MMEACECPA1ACE2NAALAD2
SCHEMBL8761646 1.00 MME (0.61) MMEACECPA1ACE2NAALAD2
SCHEMBL8206518 0.98 MME (0.60) MMEACECPA1ACE2NAALAD2
Water SCHEMBL27822843 0.98 MME (0.60) MMEACECPA1ACE2NAALAD2
Hydrochloric Acid SCHEMBL9136406 0.98 MME (0.60) MMEACECPA1ACE2NAALAD2

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-4170635-A DIPEPTIDE SWEETENER, ANHYDRIDE COLGATE PALMOLIVE COMPANY (US) 1979-10-09 US disclosed
US-4059706-A Spray-dried L-aspartic acid derivatives GENERAL FOODS CORPORATION (US) 1977-11-22 US disclosed
US-3962468-A Spray-dried L-aspartic acid derivatives GENERAL FOODS CORPORATION (US) 1976-06-08 US disclosed