SCHEMBL6897791

SCHEMBL6897791

[CH](CCCC1CCC1)CC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
SIGMAR1 Q99720 3/20 0.37

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
SCHEMBL8175593 0.81 SIGMAR1 (0.37) CYP1A2SIGMAR1
SCHEMBL12499522 0.80 CYP1A2 (0.37) CYP1A2SIGMAR1
SCHEMBL9242305 0.78 CYP1A2 (0.52) CYP1A2SIGMAR1
SCHEMBL6021518 0.78 CYP1A2 (0.41) CYP1A2SIGMAR1
SCHEMBL12498152 0.78 CYP1A2 (0.41) CYP1A2SIGMAR1
SCHEMBL8082086 0.76 CYP1A2 (0.50) CYP1A2SIGMAR1
SCHEMBL9697171 0.76 ADH1B (0.36)
SCHEMBL12981825 0.75
SCHEMBL6057656 0.75 SIGMAR1 (0.50) CYP1A2SIGMAR1
SCHEMBL5259200 0.74 CYP1A2 (0.48) CYP1A2

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
EP-1395570-A1 OXAZIN(THI)ONE COMPOUNDS USED AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-03-10 EP disclosed
WO-2002094797-A1 OXAZIN(THI)ONE COMPOUNDS USED AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-11-28 WO disclosed