SCHEMBL25254401

SCHEMBL25254401

CCC(O)Oc1cc(C=O)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
TRIM24 O15164 1/20 0.35
HPGD P15428 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
TSHR P16473 1/20 0.34
FDPS P14324 1/20 0.33
AOX1 Q06278 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
P4HB P07237 1/20 0.30
TACR2 P21452 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
SCHEMBL68707 0.81 ALDH1A1 (0.52) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL25300213 0.79 ALDH1A1 (0.53) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL30101140 0.79 ALDH1A1 (0.53) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL25296586 0.78 ALDH1A1 (0.38) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL25257755 0.77 ALDH1A1 (0.42) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL30517787 0.77 ALDH1A1 (0.42) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL25861637 0.75 FDPS (0.38) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL21358544 0.74 LPL (0.35) ALDH1A1TDP1TSHRFDPSP4HB
SCHEMBL16104100 0.73 ALDH1A1 (0.62) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL28208512 0.73 ALDH1A1 (0.62) ALDH1A1TRIM24HPGDALDH5A1ABAT

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
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed