SCHEMBL31318924

SCHEMBL31318924

COc1ccccc1C(=O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.55
HPGD P15428 3/20 0.54
ALDH1A1 P00352 1/20 0.54
XBP1 P17861 1/20 0.53
STAT3 P40763 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 3/20 0.50
HTT P42858 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNA3 P22001 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
SCHEMBL4303504 1.00 CTSD (0.55) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL27860086 0.94 HPGD (0.50) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL22419893 0.90 HPGD (0.60) CTSDHPGDALDH1A1XBP1L3MBTL1
SCHEMBL31257134 0.88 CTSD (0.55) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL9041066 0.85 CTSD (0.56) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL2339959 0.85 CTSD (0.51) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL8441866 0.84 CTSD (0.55) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL10641160 0.83 USP2 (0.51) HPGDALDH1A1NPC1HTTRAB9A
SCHEMBL7055752 0.83 KMT2A (0.54) CTSDHPGDALDH1A1XBP1STAT3
SCHEMBL16674268 0.82 IRAK4 (0.68) HPGDALDH1A1KMT2AKCNK3KCNK9

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-2024255077-A1 METHOD FOR CATALYTICALLY SYNTHESIZING NADPH USING ELECTRICALLY PROMOTED IMMOBILIZED ENZYME 深圳津合生物有限公司 2024-12-19 WO disclosed