SCHEMBL7426384

SCHEMBL7426384

COc1ccccc1CC(N)C(O)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.51
ERAP2 Q6P179 6/20 0.51
IL1RN P18510 5/20 0.51
ERAP1 Q9NZ08 4/20 0.51
TDP1 Q9NUW8 1/20 0.48
MME P08473 2/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
LTA4H P09960 1/20 0.46

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
SCHEMBL7443588 0.89 ERAP2 (0.51) ERAP2IL1RNERAP1MMELTA4H
SCHEMBL7443405 0.86 MME (0.52) ANPEPERAP2IL1RNERAP1MME
SCHEMBL7434815 0.85 ERAP2 (0.53) ERAP2IL1RNERAP1MMELTA4H
SCHEMBL7438775 0.83 ERAP2 (0.54) ANPEPERAP2IL1RNERAP1MME
Ubenimex SCHEMBL16782425 0.82 MME (0.66) ANPEPMMELTA4H
Ubenimex SCHEMBL7943 0.82 MME (0.66) ANPEPMMELTA4H
Ubenimex SCHEMBL8191715 0.82 MME (0.66) ANPEPMMELTA4H
Ubenimex SCHEMBL22632072 0.82 MME (0.66) ANPEPMMELTA4H
Ubenimex SCHEMBL5807154 0.82 MME (0.66) ANPEPMMELTA4H
Ubenimex SCHEMBL5812930 0.82 MME (0.66) ANPEPMMELTA4H

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-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed