SCHEMBL7438775

SCHEMBL7438775

CC(C)C[C@H](NC(=O)C(O)C(N)Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 5/20 0.54
MME P08473 4/20 0.54
ACE P12821 2/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
ANPEP P15144 1/20 0.52
METAP2 P50579 2/20 0.52
METAP1 P53582 2/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
PSMB5 P28074 1/20 0.50
IL1RN P18510 4/20 0.49
ERAP1 Q9NZ08 3/20 0.49
HRH4 Q9H3N8 1/20 0.49

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
SCHEMBL7443405 0.87 MME (0.52) ERAP2MMEANPEPIL1RNERAP1
SCHEMBL7434815 0.86 ERAP2 (0.53) ERAP2MMEIL1RNERAP1
SCHEMBL10772819 0.84 MMP2 (0.61) MMEACECPA1ACE2ANPEP
SCHEMBL7426384 0.83 ANPEP (0.51) ERAP2MMEANPEPIL1RNERAP1
Ubenimex SCHEMBL5812930 0.83 MME (0.66) MMEANPEP
Ubenimex SCHEMBL5807154 0.83 MME (0.66) MMEANPEP
Ubenimex SCHEMBL9247599 0.83 MME (0.66) MMEANPEP
Ubenimex SCHEMBL16782425 0.83 MME (0.66) MMEANPEP
Ubenimex SCHEMBL22632072 0.83 MME (0.66) MMEANPEP
Ubenimex SCHEMBL8191715 0.83 MME (0.66) MMEANPEP

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