SCHEMBL3634192

SCHEMBL3634192

CC(C)CC(C)(CC=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
HIF1A Q16665 1/20 0.43
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
TAAR1 Q96RJ0 2/20 0.34
RIPK1 Q13546 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
OPRM1 P35372 2/20 0.33
KIF11 P52732 2/20 0.33
CACNA1F O60840 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP2B6 P20813 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL5016669 0.78 CYP2C19 (0.41) CYP2C19HIF1ACYP2D6CYP1A2TAAR1
SCHEMBL29114278 0.76 CYP2C19 (0.44) CYP2C19HIF1ACYP2D6CYP1A2TAAR1
SCHEMBL3367891 0.76 CYP2C19 (0.44) CYP2C19HIF1ACYP2D6CYP1A2TAAR1
SCHEMBL5778796 0.75 CYP2C19 (0.43) CYP2C19HIF1ATAAR1SMN1; SMN2KMT2A
SCHEMBL3466869 0.74 CYP2C19 (0.37) CYP2C19HIF1ACYP2D6CYP1A2TAAR1
SCHEMBL4610174 0.74 CYP2C19 (0.41) CYP2C19HIF1ACYP2D6CYP1A2TAAR1
SCHEMBL159524 0.74 CYP2C19 (0.42) CYP2C19HIF1ATAAR1SMN1; SMN2KIF11
SCHEMBL7027201 0.73 CYP2C19 (0.39) CYP2C19HIF1ACYP2D6CYP1A2RIPK1
SCHEMBL7021873 0.73 CYP2C19 (0.39) CYP2C19HIF1ACYP2D6CYP1A2RIPK1
SCHEMBL7027006 0.73 CYP2C19 (0.39) CYP2C19HIF1ACYP2D6CYP1A2RIPK1

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-2148737-A1 MEMBRANE COMPRISING OXYETHYLENE GROUPS FUJIFILM Manufacturing Europe B.V. (NL) 2010-02-03 EP disclosed
WO-2008143515-A1 MEMBRANE COMPRISING OXYETHYLENE GROUPS FUJIFILM MANUFACTURING EUROPE B.V. (NL) 2008-11-27 WO disclosed