SCHEMBL30834726

SCHEMBL30834726

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

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.66
▸ ECE1 P42892 8/20 0.61
▸ LTA4H P09960 1/20 0.61
▸ ERAP2 Q6P179 2/20 0.61
▸ IL1RN P18510 1/20 0.60
▸ MME P08473 1/20 0.59

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
SCHEMBL21641793 0.94 ACE (0.73) ACEECE1ERAP2
SCHEMBL21641792 0.94 ACE (0.73) ACEECE1ERAP2
SCHEMBL21641791 0.94 ACE (0.73) ACEECE1ERAP2
SCHEMBL29380886 0.94 ACE (0.73) ACEECE1ERAP2
SCHEMBL30052892 0.93 ACE (0.67) ACEECE1LTA4HERAP2MME
SCHEMBL30051739 0.93 ACE (0.67) ACEECE1LTA4HERAP2MME
SCHEMBL9440772 0.92 ACE (0.66) ACEECE1LTA4HERAP2MME
SCHEMBL30465908 0.91 ACE (0.64) ACEECE1ERAP2
SCHEMBL30052433 0.91 ACE (0.69) ACEECE1LTA4HMME
SCHEMBL30052407 0.91 ACE (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240091375-A1 AN ANTIBODY FRAGMENT BASED ANTIMICROBIAL CONJUGATE SELECTIVELY TARGETING PSEUDOMONAS ABGENICS LIFESCIENCES PRIVATE LIMITED (IN) 2024-03-21 — — US disclosed
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