SCHEMBL10601751

SCHEMBL10601751

NCC(=O)N(C(=O)C(N)CCC(=O)O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.47
SLC15A1 P46059 1/20 0.46
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
LTA4H P09960 3/20 0.44
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
SLC1A1 P43005 3/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.41
GRIK1 P39086 2/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC1R Q01726 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38

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
SCHEMBL8821943 0.88 SLC15A1 (0.52) CPA3SLC15A1ALPIPKMPTGS1
SCHEMBL8068334 0.88 SLC7A5 (0.54) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL27652945 0.83 SLC15A1 (0.52) CPA3SLC15A1ALPIPKMPTGS1
SCHEMBL19974077 0.82 ANPEP (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17158366 0.82 ALPI (0.50) CPA3ALPIPKMPTGS1XIAP
SCHEMBL26923164 0.79 MC4R (0.48) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL9068961 0.79 SLC7A5 (0.49) CPA3SLC15A1ALPIPKMPTGS1
SCHEMBL9301709 0.78 SLC7A5 (0.42) CPA3SLC15A1ALPIPKMPTGS1
SCHEMBL11191381 0.78 ALPI (0.50) CPA3SLC15A1ALPIPKMPTGS1
SCHEMBL9499407 0.78 ALPI (0.54) CPA3SLC15A1ALPIPKMPTGS1

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
EP-0116472-B1 ANTIGENIC MATERIALS COUNCIL OF GOVERNORS OF THE UNITED MEDICAL AND DENTAL SCHOOLS OF GUY'S AND ST. THOMAS'S HOSPITALS (GB) 1989-04-26 EP disclosed
US-4594244-A Antigenic materials COUNCIL OF GOVERNORS OF THE UNITED MEDICAL AND DENTAL SCHOOLS OF GUY'S AND ST. THOMAS'S HOSPITALS (GB) 1986-06-10 US disclosed
EP-0116472-A2 Antigenic materials COUNCIL OF GOVERNORS OF THE UNITED MEDICAL AND DENTAL SCHOOLS OF GUY'S AND ST. THOMAS'S HOSPITALS (GB) 1984-08-22 EP disclosed