SCHEMBL9752593

SCHEMBL9752593

CC(O)(Cn1ccccc1=O)Cn1ccccc1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.41
PSMB1 P20618 2/20 0.40
PSMB5 P28074 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PER2 O15055 2/20 0.36
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL15470653 0.89 NPC1 (0.45) NPC1MITFLMNATP53RAB9A
SCHEMBL12250935 0.84 NPC1 (0.47) NPC1MITFLMNATP53RAB9A
Water SCHEMBL9752723 0.78 MCHR1 (0.41) NPC1MITFLMNATP53RAB9A
SCHEMBL6245739 0.76 POLB (0.46) NPC1MITFLMNATP53RAB9A
SCHEMBL8354140 0.74 TP53 (0.47) NPC1MITFLMNATP53RAB9A
SCHEMBL11613552 0.73 NPC1 (0.53) NPC1MITFLMNATP53RAB9A
SCHEMBL8600961 0.73
SCHEMBL9752595 0.72 L3MBTL1 (0.55) NPC1MITFLMNATP53RAB9A
SCHEMBL11964126 0.71 TSHR (0.54) NPC1MITFLMNATP53RAB9A
SCHEMBL12752903 0.70 TSHR (0.47) NPC1MITFLMNATP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991009848-A1 PYRIDINONES USEFUL AS ANTIATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1991-07-11 WO claimed
WO-1991009848-A1 PYRIDINONES USEFUL AS ANTIATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1991-07-11 WO disclosed