SCHEMBL22703104

SCHEMBL22703104

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LAP3 P28838 2/20 0.55
▸ ANPEP P15144 2/20 0.55
▸ RNPEP Q9H4A4 1/20 0.55
▸ DNPEP Q9ULA0 1/20 0.55
▸ BIRC2 Q13490 1/20 0.54
▸ IL1RN P18510 4/20 0.52
▸ ERAP2 Q6P179 4/20 0.52
▸ ERAP1 Q9NZ08 3/20 0.52
▸ MME P08473 2/20 0.50
▸ LTA4H P09960 1/20 0.48

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
SCHEMBL24068219 0.91 LAP3 (0.53) LAP3ANPEPRNPEPDNPEPBIRC2
Bestatin Methyl Ester SCHEMBL15261304 0.91 ANPEP (0.61) LAP3ANPEPRNPEPDNPEPBIRC2
Bestatin Methyl Ester SCHEMBL9574604 0.91 ANPEP (0.61) LAP3ANPEPRNPEPDNPEPBIRC2
Bestatin Methyl Ester SCHEMBL12381043 0.91 ANPEP (0.61) LAP3ANPEPRNPEPDNPEPBIRC2
SCHEMBL17278281 0.88 METAP2 (0.55) LAP3ANPEPRNPEPDNPEPBIRC2
SCHEMBL24036408 0.88 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPBIRC2
Ubenimex SCHEMBL25971 0.87 MME (0.66) LAP3ANPEPRNPEPDNPEPMME
Ubenimex SCHEMBL5807154 0.87 MME (0.66) LAP3ANPEPRNPEPDNPEPMME
Ubenimex SCHEMBL22632072 0.87 MME (0.66) LAP3ANPEPRNPEPDNPEPMME
Ubenimex SCHEMBL9247599 0.87 MME (0.66) LAP3ANPEPRNPEPDNPEPMME

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-20200371101-A1 COMPOSITIONS AND METHODS RELATING TO DETECTION, INHIBITION, AND IMAGING OF INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) REGENERON PHARMACEUTICALS, INC. 2020-11-26 — — US disclosed
Send feedback