SCHEMBL16224813

SCHEMBL16224813

CCCCCCCNc1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.45
SOAT2 O75908 2/20 0.45
KCNH3 Q9ULD8 1/20 0.44
ACHE P22303 1/20 0.43
ABL1 P00519 1/20 0.43
EPHX2 P34913 1/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
PKM P14618 1/20 0.41
MAPK14 Q16539 1/20 0.40

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
SCHEMBL9359772 0.98 KCNH3 (0.45) SOAT1SOAT2KCNH3ACHEABL1
SCHEMBL9363853 0.93 PKM (0.43) SOAT1SOAT2KCNH3PKM
SCHEMBL15557010 0.86 ABL1 (0.54) KCNH3ABL1EPHX2CNR2
SCHEMBL1521870 0.85 PKM (0.45) PKM
SCHEMBL17586139 0.85 PLK1 (0.51) ACHEABL1EPHX2
SCHEMBL11935646 0.84 FERMT2 (0.42)
SCHEMBL16583821 0.83 NQO2 (0.44) ABL1EPHX2
SCHEMBL31146773 0.83 ABL1 (0.51) KCNH3ACHEABL1CNR1CNR2
SCHEMBL31146819 0.83 ABL1 (0.51) KCNH3ACHEABL1CNR1CNR2
SCHEMBL2847441 0.82 FERMT2 (0.43)

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-2014179438-A2 GLYCOLIPID INHIBITION USING IMINOSUGARS THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2014-11-06 WO disclosed