SCHEMBL28348753

SCHEMBL28348753

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.OBO

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.62
CTSK P43235 14/20 0.59
CTSL P07711 6/20 0.59
CTSS P25774 4/20 0.59
ACE2 Q9BYF1 1/20 0.58
CTSB P07858 2/20 0.56
REN P00797 1/20 0.56
PREP P48147 2/20 0.55
LMNA P02545 1/20 0.53

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
SCHEMBL14493034 0.98 ACE (0.64) ACECTSKCTSLCTSSACE2
SCHEMBL20484750 0.98 ACE (0.64) ACECTSKCTSLCTSSACE2
SCHEMBL7392156 0.98 ACE (0.64) ACECTSKCTSLCTSSACE2
Boric Acid SCHEMBL28346456 0.95 ACE (0.61) ACECTSKCTSLCTSSACE2
SCHEMBL20173777 0.92 ACE (0.65) ACECTSKCTSLCTSSACE2
SCHEMBL8334160 0.91 CTSK (0.60) ACECTSKCTSLCTSSCTSB
SCHEMBL2499034 0.90 ALDH1A1 (0.61) ACECTSKCTSLCTSSCTSB
SCHEMBL6243546 0.88 ACE (0.66) ACEACE2PREPLMNA
SCHEMBL6244068 0.88 ACE (0.66) ACEACE2PREPLMNA
SCHEMBL9574253 0.87 ACE (0.76) ACEACE2REN

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-B Proline boric acid compound and preparation method and application thereof 北京大学 2019-12-13 CN claimed
CN-108929340-B Proline boric acid compound and preparation method and application thereof 北京大学 2019-12-13 CN disclosed