SCHEMBL9440772

SCHEMBL9440772

CC(C(=O)O)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.66
▸ ECE1 P42892 8/20 0.61
▸ LTA4H P09960 1/20 0.61
▸ MME P08473 1/20 0.59
▸ ERAP2 Q6P179 1/20 0.58

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
SCHEMBL30052892 0.93 ACE (0.67) ACEECE1LTA4HMMEERAP2
SCHEMBL30051739 0.93 ACE (0.67) ACEECE1LTA4HMMEERAP2
SCHEMBL9440643 0.92 ERAP2 (0.59) ACEERAP2
SCHEMBL30834726 0.92 ACE (0.66) ACEECE1LTA4HMMEERAP2
SCHEMBL30052433 0.91 ACE (0.69) ACEECE1LTA4HMME
SCHEMBL30052407 0.91 ACE (0.69) ACEECE1LTA4HMME
SCHEMBL30053126 0.90 ACE (0.63) ACEECE1LTA4HMMEERAP2
SCHEMBL30052487 0.90 ACE (0.63) ACEECE1LTA4HMMEERAP2
SCHEMBL30051305 0.89 ACE (0.72) ACEECE1ERAP2
SCHEMBL29578686 0.88 LTA4H (0.65) ACEECE1LTA4HMME

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
EP-0470175-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1992-02-12 — — EP claimed
WO-1990012883-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1990-11-01 — — WO claimed
US-5336601-A Enzymatic membrane method for the snythesis and separation of peptides THE COCA-COLA COMPANY (US) 1994-08-09 — — US disclosed
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