SCHEMBL3972807

SCHEMBL3972807

NC(=O)c1occc1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.54
PARP10 Q53GL7 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
RHEB Q15382 1/20 0.40
BRD4 O60885 1/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
ADRA2C P18825 1/20 0.40
HTT P42858 1/20 0.39
TTR P02766 1/20 0.39
TSHR P16473 2/20 0.39
SLC9A1 P19634 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL5224162 0.79 KMT2A (0.38) CTNNB1PARP10SMN1; SMN2MEN1NPC1
SCHEMBL5216616 0.75 KMT2A (0.36) CTNNB1PARP10SMN1; SMN2MEN1NPC1
SCHEMBL27605287 0.72 SMN1; SMN2 (0.45) CTNNB1SMN1; SMN2MEN1NPC1MAPT
SCHEMBL16291648 0.72 BRD4 (0.53) PARP10SMN1; SMN2MAPTKMT2ABRD4
SCHEMBL11098348 0.71 KMT2A (0.41) SMN1; SMN2MEN1NPC1MAPTRAB9A
SCHEMBL27680126 0.71 CTNNB1 (1.00) CTNNB1PARP10SMN1; SMN2MEN1MAPT
SCHEMBL5724 0.71 CTNNB1 (1.00) CTNNB1PARP10SMN1; SMN2MEN1MAPT
SCHEMBL28876495 0.71 CTNNB1 (1.00) CTNNB1PARP10SMN1; SMN2MEN1MAPT
Diphenylether SCHEMBL10618785 0.70 PARP10 (0.71) CTNNB1PARP10SMN1; SMN2KMT2ATSHR
Diphenylether SCHEMBL8165466 0.70 PARP10 (0.71) CTNNB1PARP10SMN1; SMN2KMT2ATSHR

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-2009049421-A1 COMPOSITIONS AND METHODS FOR ENHANCING ENZYME ACTIVITY IN GAUCHER, GM1-GANGLIOSIDOSIS/MORQUIO B DISEASE, AND PARKINSON'S DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-04-23 WO disclosed
WO-2009049422-A1 COMPOSITIONS AND METHODS FOR ENHANCING ENZYME ACTIVITY IN GAUCHER, GM1 -GANGLIOSIDOSIS/MORQUIO B DISEASE. AND PARKINSON'S DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-04-23 WO disclosed