SCHEMBL8069837

SCHEMBL8069837

CCCCCCN=Cc1ccccc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.83
CA2 P00918 7/20 0.83
CA9 Q16790 6/20 0.83
KDM4E B2RXH2 4/20 0.68
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.47
CA1 P00915 1/20 0.47
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL14337472 1.00 CA12 (0.83) CA12CA2CA9KDM4EMAPT
SCHEMBL16627919 1.00 CA12 (0.83) CA12CA2CA9KDM4EMAPT
SCHEMBL8937734 1.00 CA12 (0.83) CA12CA2CA9KDM4EMAPT
SCHEMBL14421086 1.00 CA12 (0.83) CA12CA2CA9KDM4EMAPT
SCHEMBL8937789 1.00 CA12 (0.83) CA12CA2CA9KDM4EMAPT
SCHEMBL348172 0.93 CA12 (0.79) CA12CA2CA9KDM4EMAPT
SCHEMBL348171 0.93 CA12 (0.79) CA12CA2CA9KDM4EMAPT
SCHEMBL17660178 0.93 CA12 (0.79) CA12CA2CA9KDM4EMAPT
SCHEMBL24435598 0.91 CA12 (1.00) CA12CA2CA9KDM4EMAPT
SCHEMBL1300528 0.91 CA12 (1.00) CA12CA2CA9KDM4EMAPT

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
US-6080212-A DIESEL FUEL ADDITIVE COMPRISING MIXTURE OF FATTY ESTERS AND OLIGOMERIC ALIPHATIC ESTERS; SMOKELESS EXHAUST HENKEL CORPORATION (US) 2000-06-27 US disclosed