SCHEMBL23655232

SCHEMBL23655232

CN(C)C(=O)COC(=O)c1c(F)ccc2c1OB(O)C1C[C@H]21

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAT P04040 1/20 0.63
KMT2A Q03164 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21012425 1.00 CAT (0.63) CATKMT2ARAB9ANPC1ALDH1A1
SCHEMBL23655054 1.00 CAT (0.63) CATKMT2ARAB9ANPC1ALDH1A1
SCHEMBL21012459 0.92 CAT (0.56) CATKMT2AMEN1
SCHEMBL23654597 0.92 CAT (0.56) CATKMT2AMEN1
SCHEMBL21219556 0.89 CAT (0.54) CAT
SCHEMBL22854348 0.88 CAT (0.70) CATRAB9AALDH1A1KDM4EGAA
SCHEMBL22854346 0.88 CAT (0.70) CATRAB9AALDH1A1KDM4EGAA
SCHEMBL22854351 0.88 CAT (0.70) CATRAB9AALDH1A1KDM4EGAA
SCHEMBL22854352 0.88 CAT (0.70) CATRAB9AALDH1A1KDM4EGAA
SCHEMBL23655031 0.83 CAT (0.65) CATL3MBTL1

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