SCHEMBL17278281

SCHEMBL17278281

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.55
▸ LAP3 P28838 2/20 0.55
▸ ANPEP P15144 2/20 0.55
▸ RNPEP Q9H4A4 1/20 0.55
▸ DNPEP Q9ULA0 1/20 0.55
▸ IL1RN P18510 5/20 0.52
▸ ERAP2 Q6P179 5/20 0.52
▸ ERAP1 Q9NZ08 4/20 0.52
▸ BIRC2 Q13490 1/20 0.51
▸ MME P08473 1/20 0.50

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
Bestatin Methyl Ester SCHEMBL12381043 0.91 ANPEP (0.61) LAP3ANPEPRNPEPDNPEPIL1RN
Bestatin Methyl Ester SCHEMBL15261304 0.91 ANPEP (0.61) LAP3ANPEPRNPEPDNPEPIL1RN
Bestatin Methyl Ester SCHEMBL9574604 0.91 ANPEP (0.61) LAP3ANPEPRNPEPDNPEPIL1RN
SCHEMBL24036408 0.88 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPIL1RN
SCHEMBL22703104 0.88 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPIL1RN
SCHEMBL9011218 0.87 LTA4H (0.57) BIRC2MME
SCHEMBL9011222 0.87 LTA4H (0.57) BIRC2MME
Ubenimex SCHEMBL22632072 0.87 MME (0.66) LAP3ANPEPRNPEPDNPEPMME
Ubenimex SCHEMBL25971 0.87 MME (0.66) LAP3ANPEPRNPEPDNPEPMME
Ubenimex SCHEMBL17889224 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
EP-2947070-A1 MULTI-TARGETED UBENIMEX PRODRUG DERIVATIVE AND PREPARATION METHOD AND USE THEREOF Weifang Bochuang International Academy of Biotechnology and Medicine (CN) 2015-11-25 — — EP disclosed
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