SCHEMBL28256389

SCHEMBL28256389

CCC(C)C(NC(=O)C(N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.60
▸ KMT2A Q03164 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ SLC6A2 P23975 1/20 0.55
▸ ACE2 Q9BYF1 4/20 0.52
▸ LTA4H P09960 5/20 0.52

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
SCHEMBL30052918 1.00 ACE (0.60) ACEKMT2AL3MBTL1SLC6A2ACE2
SCHEMBL30112895 0.92 SLC6A2 (0.57) ACEKMT2AL3MBTL1SLC6A2
SCHEMBL30052910 0.91 ACE (0.60) ACESLC6A2ACE2LTA4H
SCHEMBL31632671 0.91 ACE (0.60) ACESLC6A2ACE2LTA4H
SCHEMBL5275753 0.89 DPP4 (0.51) ACEKMT2AL3MBTL1SLC6A2ACE2
SCHEMBL5275743 0.89 DPP4 (0.51) ACEKMT2AL3MBTL1SLC6A2ACE2
SCHEMBL9478081 0.89 CALCRL (0.53) ACESLC6A2ACE2
SCHEMBL9478089 0.89 CALCRL (0.53) ACESLC6A2ACE2
SCHEMBL7303271 0.87 ACE (0.61) ACEKMT2AL3MBTL1ACE2LTA4H
SCHEMBL7383518 0.87 ACE (0.62) ACEACE2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929340-A Proline boric acid compound and its preparation method and application 北京大学 2018-12-04 — — CN claimed
CN-108929340-A Proline boric acid compound and its preparation method and application 北京大学 2018-12-04 — — CN disclosed
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