SCHEMBL5606579

SCHEMBL5606579

CC(C)CC(O)Cn1cncn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
FDPS P14324 1/20 0.35
CYP19A1 P11511 1/20 0.34
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL4249454 0.84 POLB (0.50) POLBHPGDEGLN3FDPSCYP19A1
SCHEMBL12900040 0.81 POLB (0.46) POLBHPGDEGLN3FDPSCYP19A1
SCHEMBL2021737 0.81 POLB (0.46) POLBHPGDEGLN3FDPSCYP19A1
SCHEMBL13108577 0.81 POLB (0.46) POLBHPGDEGLN3FDPSCYP19A1
SCHEMBL20516158 0.80
SCHEMBL1082326 0.80
SCHEMBL7467012 0.80
SCHEMBL10771116 0.79 POLB (0.44) POLBHPGDEGLN3FDPSCYP19A1
SCHEMBL21317693 0.79 POLB (0.47) POLBHPGDEGLN3FDPSCYP19A1
SCHEMBL24387772 0.78 CYP3A4 (0.38) EGLN3KMT2AMEN1CYP19A1

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-1791429-A1 FUNGICIDAL ACTIVE INGREDIENT COMBINATION BAYER CROPSCIENCE AG (DE) 2007-06-06 EP disclosed
WO-2006027209-A1 FUNGICIDAL ACTIVE INGREDIENT COMBINATION BAYER CROPSCIENCE AG (DE) 2006-03-16 WO disclosed