SCHEMBL8966089

SCHEMBL8966089

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.49
RNPEP Q9H4A4 2/20 0.49
DNPEP Q9ULA0 2/20 0.49
LTA4H P09960 1/20 0.49
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
BIRC2 Q13490 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8966102 1.00 ANPEP (0.49) ANPEPRNPEPDNPEPLTA4HCA12
SCHEMBL5492848 0.85 LTA4H (0.50) ANPEPRNPEPDNPEPLTA4HCA12
SCHEMBL11201637 0.83 MMP1 (0.45) ANPEPRNPEPDNPEPLTA4HCA12
SCHEMBL10443784 0.81 SLC15A1 (0.46) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL28221965 0.80 ANPEP (0.47) ANPEPRNPEPDNPEPLTA4HCA12
SCHEMBL28786062 0.80 ANPEP (0.55) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL28786054 0.80 ANPEP (0.55) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL6250435 0.79 SLC7A5 (0.47) ANPEPRNPEPDNPEPLTA4HALPI
SCHEMBL27802016 0.79 ANPEP (0.49) ANPEPRNPEPDNPEPLTA4HALPI
Phenylalanine Methyl Ester SCHEMBL6748761 0.79 SLC7A5 (0.58) ANPEPRNPEPDNPEPLTA4HCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593557-B1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME (GB) 1996-01-31 EP disclosed
EP-0593557-A1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. MERCK SHARP & DOHME (GB) 1994-04-27 EP disclosed