SCHEMBL8024736

SCHEMBL8024736

CC(C)(C)OC(=O)c1ccc(CF)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SLC7A5 Q01650 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
ELANE P08246 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.39
CA7 P43166 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL7708759 0.85 KMT2A (0.52) CA1CA2CA12CA9CA14
SCHEMBL7588248 0.85 ALDH1A1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL109451 0.84 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL1019092 0.83 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL7385067 0.83 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL16617577 0.83 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL7328760 0.81 CA1 (0.49) CA1CA2CA12CA9CA14
SCHEMBL1921144 0.81 CA1 (0.49) CA1CA2CA12CA9CA14
Bromide SCHEMBL7535751 0.81 CA1 (0.49) CA1CA2CA12CA9CA14
SCHEMBL21580234 0.81 CA1 (0.49) CA1CA2CA12CA9CA14

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
US-6159973-A Aromatic amides, their preparation process, the compositions containing them and their use as pesticides HOECHST SCHERING AGREVO S.A. (FR) 2000-12-12 US disclosed
US-6013837-A E.G.,4-(2-(3,4,5-TRICHLORO PHENYL) 1-FLUOROCYCLOPROPYL)-N-(2-METHYL PHENYL)BENZAMIDE; PARTICULAR USE AGAINST ARTHROPODS, HELMINTHS AND MOLLUSCS; INSECTICIDES; ACARICIDES; NEMATICIDES; PHOTOSTABILITY; NONTOXIC TO MAMMALS HOECHST MARION ROUSSEL (FR) 2000-01-11 US disclosed