SCHEMBL8480397

SCHEMBL8480397

CCCCCOc1c(C)c(OC)cc2c1COC(C)C2

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.38
PDE4D Q08499 1/20 0.38
DRD1 P21728 7/20 0.38
DRD3 P35462 7/20 0.38
DRD2 P14416 4/20 0.38
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
SIGMAR1 Q99720 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8480345 0.99 PDE4B (0.39) PDE4BPDE4DDRD1DRD3DRD2
SCHEMBL8487323 0.99 PDE4B (0.39) PDE4BPDE4DDRD1DRD3DRD2
SCHEMBL8484446 0.99 PDE4B (0.39) PDE4BPDE4DDRD1DRD3DRD2
SCHEMBL8484473 0.99 PDE4B (0.39) PDE4BPDE4DDRD1DRD3DRD2
SCHEMBL8483898 0.96 DRD1 (0.37) PDE4BPDE4DDRD1DRD3DRD2
SCHEMBL8480217 0.94 ALDH1A1 (0.39) PDE4BDRD1DRD3DRD2SIGMAR1
SCHEMBL8484098 0.91 HTR2A (0.39) PDE4BPDE4DDRD1DRD3DRD2
SCHEMBL8479889 0.89 HTR2A (0.39) PDE4BPDE4DDRD1DRD3DRD2
SCHEMBL8486253 0.89 HTR2A (0.39) PDE4BPDE4DDRD1DRD3DRD2
SCHEMBL8484395 0.89 HTR2A (0.39) PDE4BPDE4DDRD1DRD3DRD2

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-5922889-A REACTING 3,7-DIMETHYL-6,8-DIMETHOXYISOCHROMAN WITH SODIUM ETHYL THIOLATE OR SODIUM HYDRIDE TO PRODUCE 3,7-DIMETHYL-6-HYDROXY-8-METHOXYISOCHROMAN; POSSESS PHYTOTOXIC ACTIVITY USED AS A BIODEGRADABLE HERBICIDE THE UNITED STATES OD AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1999-07-13 US disclosed