SCHEMBL8029622

SCHEMBL8029622

Cc1ccc(C2CCC3OCCOC3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.38
LMNA P02545 2/20 0.37
RAB9A P51151 4/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.33
ESR2 Q92731 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ATM Q13315 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
LIPE Q05469 1/20 0.32

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
SCHEMBL1405569 0.75 ESR2 (0.50) SLC18A3LMNARAB9AHTTALDH1A1
SCHEMBL17045230 0.74 SLC18A3 (0.38) SLC18A3LMNARAB9AHTTALDH1A1
SCHEMBL16892913 0.72 ESR2 (0.50) SLC18A3LMNAALDH1A1MAPTESR2
SCHEMBL12841058 0.72 SLC18A3 (0.42) SLC18A3LMNARAB9AHTTALDH1A1
SCHEMBL734536 0.71 MAOB (0.42) SLC18A3LMNAALDH1A1MAPTESR2
SCHEMBL13476556 0.71 MAOB (0.42) SLC18A3LMNAALDH1A1MAPTESR2
Methyl Alcohol SCHEMBL8600293 0.71 SLC18A3 (0.41) SLC18A3LMNARAB9AHTTALDH1A1
SCHEMBL12463654 0.71 MAOB (0.42) SLC18A3LMNAALDH1A1MAPTESR2
SCHEMBL10212287 0.70 SLC18A3 (0.43) SLC18A3LMNAALDH1A1MAPTESR2
SCHEMBL10062044 0.70 ESR2 (0.65) SLC18A3LMNARAB9AHTTALDH1A1

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-2000076316-A1 METHODS RELATED TO METABOLISM OF PARASITES AND MYCOBACTERIA UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2000-12-21 WO disclosed