SCHEMBL9440101

SCHEMBL9440101

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.61
▸ MME P08473 1/20 0.58
▸ ECE1 P42892 8/20 0.57
▸ LTA4H P09960 1/20 0.57
▸ ALOX15 P16050 1/20 0.57

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
SCHEMBL9439966 0.93 IL1RN (0.53) ACE
SCHEMBL9440772 0.85 ACE (0.66) ACEMMEECE1LTA4H
SCHEMBL9327824 0.84 MME (0.55) ACEMME
SCHEMBL27426101 0.84 ECE1 (0.71) ACEECE1ALOX15
SCHEMBL30052407 0.83 ACE (0.69) ACEMMEECE1LTA4HALOX15
SCHEMBL30052433 0.83 ACE (0.69) ACEMMEECE1LTA4HALOX15
SCHEMBL15692342 0.83 ACE (0.69) ACEMMEECE1LTA4HALOX15
SCHEMBL30297537 0.83 ACE (0.69) ACEMMEECE1LTA4HALOX15
SCHEMBL15692343 0.83 ACE (0.69) ACEMMEECE1LTA4HALOX15
SCHEMBL30557894 0.83 ACE (0.69) ACEMMEECE1LTA4HALOX15

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-5350681-A Aspartame THE COCA-COLA COMPANY (US) 1994-09-27 — — US disclosed
EP-0470175-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1992-02-12 — — EP disclosed
WO-1990012883-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1990-11-01 — — WO disclosed
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