SCHEMBL8484395

SCHEMBL8484395

CCCCCCOc1cc2c(c(OC)c1C)COC(C)C2

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.39
HTR2C P28335 6/20 0.39
HTR2B P41595 6/20 0.39
PDE4B Q07343 2/20 0.39
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
DRD1 P21728 9/20 0.39
DRD3 P35462 9/20 0.39
DRD2 P14416 3/20 0.39
SIGMAR1 Q99720 2/20 0.38
PDE4D Q08499 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
SCHEMBL8479889 1.00 HTR2A (0.39) HTR2AHTR2CHTR2BPDE4BHTR1A
SCHEMBL8480861 1.00 HTR2A (0.39) HTR2AHTR2CHTR2BPDE4BHTR1A
SCHEMBL8486253 1.00 HTR2A (0.39) HTR2AHTR2CHTR2BPDE4BHTR1A
SCHEMBL8484098 0.99 HTR2A (0.39) HTR2AHTR2CHTR2BPDE4BHTR1A
SCHEMBL8482920 0.95 HTR2A (0.38) HTR2AHTR2CHTR2BPDE4BHTR1A
SCHEMBL8479425 0.93 PDE4B (0.37) HTR2AHTR2CHTR2BPDE4BHTR1A
SCHEMBL8484473 0.91 PDE4B (0.39) HTR2AHTR2CHTR2BPDE4BHTR1A
SCHEMBL8484446 0.91 PDE4B (0.39) HTR2AHTR2CHTR2BPDE4BHTR1A
SCHEMBL8487323 0.91 PDE4B (0.39) HTR2AHTR2CHTR2BPDE4BHTR1A
SCHEMBL8480345 0.91 PDE4B (0.39) HTR2AHTR2CHTR2BPDE4BHTR1A

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
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 claimed
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