SCHEMBL10508317

SCHEMBL10508317

CCCCOC(=O)c1cc2cccc(OC)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.51
FLT3 P36888 1/20 0.51
IDO1 P14902 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
GAA P10253 3/20 0.47
GLA P06280 2/20 0.47
MMP2 P08253 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL3276252 0.87 KDM4E (0.57) HRH4FLT3IDO1DRD2DRD3
SCHEMBL13690245 0.85 HPGD (0.52) DRD2DRD3MMP1MMP9MMP12
SCHEMBL5635951 0.85 MMP1 (0.51) HRH4DRD2DRD3MMP1MMP9
SCHEMBL10508699 0.85 MMP1 (0.51) MMP1MMP9MMP12GAAGLA
SCHEMBL10509285 0.84 ALDH1A1 (0.50) IDO1MMP1MMP9MMP12GAA
SCHEMBL5355599 0.81 GLA (0.68) HRH4FLT3IDO1DRD2DRD3
SCHEMBL10507997 0.81 HRH4 (0.52) HRH4FLT3IDO1DRD2DRD3
SCHEMBL24019646 0.79 IDO1 (0.62) HRH4FLT3IDO1DRD2DRD3
SCHEMBL8869810 0.78 RAB9A (0.57) HRH4FLT3IDO1DRD2DRD3
SCHEMBL5289613 0.78 DRD2 (0.59) FLT3DRD2DRD3MMP1MMP9

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
US-4835175-A Indole derivatives pharmaceutical preparations based thereon, and β-receptor stimulation therewith SCHERING AKTIENGESELLSCHAFT (DE) 1989-05-30 US disclosed