SCHEMBL3408554

SCHEMBL3408554

CC(C)CC(C)Oc1nc2ccccc2s1.CCCCCCCCCCCCCCCCCCSc1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GFER P55789 1/20 0.48
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX5 P09917 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL12371907 0.83 CYP1A2 (0.71) ALDH1A1HSD17B10CYP1A2CYP2D6KDM4E
SCHEMBL30423175 0.83 CYP1A2 (0.71) ALDH1A1HSD17B10CYP1A2CYP2D6KDM4E
SCHEMBL2208304 0.83 CYP1A2 (0.71) ALDH1A1HSD17B10CYP1A2CYP2D6KDM4E
SCHEMBL11590344 0.83 CYP1A2 (0.71) ALDH1A1HSD17B10CYP1A2CYP2D6KDM4E
SCHEMBL15501213 0.83 CYP1A2 (0.71) ALDH1A1HSD17B10CYP1A2CYP2D6KDM4E
SCHEMBL11339285 0.83 CYP1A2 (0.71) ALDH1A1HSD17B10CYP1A2CYP2D6KDM4E
SCHEMBL19614388 0.83 CYP1A2 (0.71) ALDH1A1HSD17B10CYP1A2CYP2D6KDM4E
SCHEMBL11299646 0.83 CYP1A2 (0.71) ALDH1A1HSD17B10CYP1A2CYP2D6KDM4E
SCHEMBL12371897 0.82 TSHR (0.46) ALDH1A1CYP1A2CYP2D6SMN1; SMN2HPGD
SCHEMBL30423748 0.82 TSHR (0.46) ALDH1A1CYP1A2CYP2D6SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046412-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2010-04-29 WO claimed