SCHEMBL7440911

SCHEMBL7440911

CCc1ccc(CC(N)C(O)C(=O)N[C@@H](CC(C)C)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.53
FOLH1 Q04609 1/20 0.51
LTA4H P09960 1/20 0.51
IL1RN P18510 3/20 0.51
ERAP2 Q6P179 3/20 0.51
LAP3 P28838 2/20 0.49
ANPEP P15144 1/20 0.49
RNPEP Q9H4A4 1/20 0.49
DNPEP Q9ULA0 1/20 0.49
ERAP1 Q9NZ08 1/20 0.48
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47

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
SCHEMBL7431625 0.92 MME (0.55) MMEFOLH1LTA4HIL1RNERAP2
SCHEMBL7442518 0.90 MME (0.51) MMEFOLH1LTA4HIL1RNERAP2
SCHEMBL10509278 0.90 FOLH1 (0.64) MMEFOLH1LTA4HIL1RNERAP2
SCHEMBL29674545 0.90 FOLH1 (0.64) MMEFOLH1LTA4HIL1RNERAP2
SCHEMBL7431310 0.90 MME (0.53) MMEFOLH1LTA4HIL1RNERAP2
SCHEMBL10509294 0.90 FOLH1 (0.64) MMEFOLH1LTA4HIL1RNERAP2
SCHEMBL7431301 0.90 MME (0.53) MMEFOLH1LTA4HIL1RNERAP2
Ubenimex SCHEMBL5812930 0.90 MME (0.66) MMELTA4HLAP3ANPEPRNPEP
Ubenimex SCHEMBL16782425 0.90 MME (0.66) MMELTA4HLAP3ANPEPRNPEP
Ubenimex SCHEMBL8191715 0.90 MME (0.66) MMELTA4HLAP3ANPEPRNPEP

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