SCHEMBL7375418

SCHEMBL7375418

O=C(O)C(O)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.60
ACE2 Q9BYF1 3/20 0.56
CTRB1 P17538 1/20 0.53
KMT2A Q03164 1/20 0.51
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL9873047 0.91 PREP (0.75) PREPACE2CTRB1KMT2AKLK7
SCHEMBL9873052 0.91 PREP (0.75) PREPACE2CTRB1KMT2AKLK7
SCHEMBL9872359 0.91 PREP (0.75) PREPACE2CTRB1KMT2AKLK7
SCHEMBL19258607 0.90 PREP (0.63) PREPACE2CTRB1KMT2AKLK7
SCHEMBL7399280 0.89 PREP (0.63) PREPACE2CTRB1KMT2ANPSR1
SCHEMBL9873735 0.87 PREP (0.64) PREPACE2CTRB1KMT2AKLK7
SCHEMBL7836712 0.87 PREP (0.64) PREPACE2CTRB1KMT2AKLK7
SCHEMBL9872387 0.86 PREP (0.59) PREPACE2CTRB1KMT2AKLK7
SCHEMBL9872379 0.86 PREP (0.59) PREPACE2CTRB1KMT2AKLK7
SCHEMBL8272821 0.86 PREP (0.65) PREPACE2CTRB1KMT2AKLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468339-B1 Alpha-keto-amide derivatives having protease inhibiting activity NIPPON KAYAKU KK (JP) 1997-04-09 EP disclosed
US-5221752-A Inhibits prolyl endopeptidase activity; active ingredient of an enzyme inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1993-06-22 US disclosed
EP-0468339-A2 Alpha-keto-amide derivatives having protease inhibiting activity NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-01-29 EP disclosed
US-4200628-A ANTIBIOTICS, BACTERICIDES SHIONOGI & CO., LTD. (JP) 1980-04-29 US disclosed
EP-0001643-A2 Aminoglycoside derivatives, process for their manufacture, pharmaceutical compositions and carboxylic acids SHIONOGI & CO., LTD. (JP) 1979-05-02 EP disclosed