SCHEMBL9865522

SCHEMBL9865522

OCC=CCc1ccc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
DAO P14920 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL2359716 0.81
SCHEMBL3501279 0.77
SCHEMBL10732433 0.77
SCHEMBL7908920 0.77
SCHEMBL5642180 0.76
SCHEMBL4251531 0.75 MAPT (0.38) HDAC8HDAC6
SCHEMBL8716764 0.73 MAOA (0.33) MAOADRD2DRD4DRD3
SCHEMBL8716769 0.73 MAOA (0.33) MAOADRD2DRD4DRD3
SCHEMBL17266502 0.73
SCHEMBL15801169 0.72

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017595-A Azolylmethylallyl alcohols and fungicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1991-05-21 US claimed
EP-0333059-A2 Azolyl methyl allyl alcohols, and fungicides containing them BASF Aktiengesellschaft (DE) 1989-09-20 EP claimed
JP-1275566-A None JP disclosed
JP-H01275566-A AZOLYLMETHLALLYL ALCOHOL, BACTERICIDE CONTAINING THE SAME, AND CONTROL OF FUNGUS BASF AG 1989-11-06 JP disclosed