SCHEMBL16673181

SCHEMBL16673181

NC(CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O)Cc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.47
▸ MME P08473 2/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ NAALAD2 Q9Y3Q0 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ NHERF1 O14745 1/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CPA1 P15085 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ ALB P02768 1/20 0.37
▸ IL2 P60568 1/20 0.37

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
SCHEMBL16673188 1.00 ACE (0.47) ACEMMEFOLH1NAALAD2SLC7A5
SCHEMBL16673455 0.91 ACE (0.46) ACE
SCHEMBL4177756 0.91 ACE (0.46) ACE
SCHEMBL16673180 0.88 CA2 (0.43) CA2ALBIL2
SCHEMBL16673178 0.88 CA2 (0.43) CA2ALBIL2
SCHEMBL23598458 0.84 SLC7A5 (0.48) ACEMMESLC7A5CPA1ACE2
SCHEMBL4434143 0.84 SLC7A5 (0.48) ACEMMESLC7A5CPA1ACE2
SCHEMBL9664998 0.84 SLC7A5 (0.48) ACEMMESLC7A5CPA1ACE2
SCHEMBL9665005 0.84 SLC7A5 (0.48) ACEMMESLC7A5CPA1ACE2
SCHEMBL4434130 0.84 SLC7A5 (0.48) ACEMMESLC7A5CPA1ACE2

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-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — EP claimed
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