SCHEMBL5789342

SCHEMBL5789342

OCCc1cc(C(F)(F)F)on1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.35
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL411505 0.84 NOTUM (0.43) NOTUML3MBTL1CNR1CNR2
SCHEMBL5789048 0.81 SIRT2 (0.33) L3MBTL1
SCHEMBL5790888 0.78 SIRT2 (0.40) L3MBTL1
SCHEMBL3766102 0.76 L3MBTL1 (0.33) L3MBTL1
SCHEMBL412139 0.76 NOTUM (0.34) NOTUML3MBTL1
SCHEMBL14394656 0.76 L3MBTL1 (0.33) L3MBTL1
SCHEMBL8519485 0.76 L3MBTL1 (0.35) L3MBTL1CNR1CNR2
SCHEMBL9258998 0.76 L3MBTL1 (0.31) L3MBTL1
SCHEMBL17653862 0.74 AGBL2 (0.38) L3MBTL1CNR1CNR2
SCHEMBL18606355 0.72 L3MBTL1 (0.31) L3MBTL1

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-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 WO disclosed