SCHEMBL7286409

SCHEMBL7286409

CC(C)C(CP(=O)(O)C(CC1CCCCC1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.47
▸ ANPEP P15144 2/20 0.45
▸ ERAP2 Q6P179 2/20 0.45
▸ ACE2 Q9BYF1 3/20 0.43
▸ CPA1 P15085 3/20 0.43
▸ CPA2 P48052 2/20 0.43
▸ CPA4 Q9UI42 2/20 0.43
▸ CPB1 P15086 1/20 0.43
▸ MMP1 P03956 2/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ MME P08473 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ BACE1 P56817 2/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ CTSE P14091 1/20 0.41
▸ PGC P20142 1/20 0.41
▸ PSMB5 P28074 1/20 0.41

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
SCHEMBL7286416 1.00 LTA4H (0.47) LTA4HANPEPERAP2ACE2CPA1
SCHEMBL10716075 0.84 LTA4H (0.46) LTA4HANPEPERAP2ACE2CPA1
SCHEMBL10716078 0.84 LTA4H (0.46) LTA4HANPEPERAP2ACE2CPA1
SCHEMBL7308139 0.84 MMP1 (0.42) LTA4HANPEPERAP2ACE2CPA1
SCHEMBL10715965 0.83 ACE2 (0.53) ACE2MMEACE
Hydrochloric Acid SCHEMBL10718561 0.82 ACE2 (0.48) ANPEPERAP2ACE2CPA1CPA2
SCHEMBL7284748 0.81 CPB2 (0.49) CPB1
SCHEMBL7284754 0.81 CPB2 (0.49) CPB1
SCHEMBL10718428 0.80 REN (0.44) LTA4HANPEPERAP2ACE2CPA1
SCHEMBL10717475 0.80 REN (0.47) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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