SCHEMBL23655245

SCHEMBL23655245

O=C(O)c1nccc2c1OB(O)[C@H]1CC21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAT P04040 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.33
▸ ASPH Q12797 2/20 0.33
▸ KDM8 Q8N371 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ AGER Q15109 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL23655027 1.00 CAT (0.56) CATKDM4EASPHKDM8ALDH1A1
SCHEMBL21012434 1.00 CAT (0.56) CATKDM4EASPHKDM8ALDH1A1
SCHEMBL21012542 1.00 CAT (0.56) CATKDM4EASPHKDM8ALDH1A1
SCHEMBL21012493 0.74 CAT (0.63) CATKDM4EALDH1A1MAPTALOX15
SCHEMBL23655023 0.74 CAT (0.63) CATKDM4EALDH1A1MAPTALOX15
SCHEMBL21012435 0.74 CAT (0.63) CATKDM4EALDH1A1MAPTALOX15
SCHEMBL21012433 0.74 CAT (0.63) CATKDM4EALDH1A1MAPTALOX15
Xeruborbactam SCHEMBL23655292 0.72 CAT (1.00) CAT
Xeruborbactam SCHEMBL22854594 0.72 CAT (1.00) CAT
Xeruborbactam SCHEMBL21012430 0.72 CAT (1.00) CAT

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-3478693-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2021-07-21 — — EP disclosed
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