SCHEMBL28255253

SCHEMBL28255253

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

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.63
ACE2 Q9BYF1 5/20 0.60
LTA4H P09960 5/20 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
SCHEMBL28255251 1.00 ACE (0.63) ACEACE2LTA4H
SCHEMBL30974292 0.98 ACE (0.61) ACEACE2
SCHEMBL30123533 0.95 SLC6A2 (0.62) ACE
SCHEMBL31039947 0.95 SLC6A2 (0.62) ACE
SCHEMBL29666711 0.94 ACE (0.59) ACEACE2
SCHEMBL29666878 0.94 ACE (0.58) ACEACE2LTA4H
SCHEMBL30608509 0.94 ACE (0.61) ACEACE2LTA4H
SCHEMBL30785955 0.93 ACE (0.56) ACEACE2LTA4H
SCHEMBL8250626 0.92 OPRM1 (0.60) ACE
SCHEMBL31499407 0.91 SLC6A2 (0.56) ACEACE2

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