SCHEMBL8024723

SCHEMBL8024723

CC(C)(C)OC(=O)c1ccc(C2(F)CC2c2ccc(Br)c(Br)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTR7 P34969 1/20 0.34
KDM1A O60341 2/20 0.33
RORC P51449 8/20 0.33
STAT3 P40763 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
ADORA2B P29275 1/20 0.31
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8036313 0.82 MAOA (0.40) ALOX15CA12CA1CA2CA9
SCHEMBL8034589 0.82 RORC (0.42) ALOX15CA12CA1CA2CA9
SCHEMBL8034546 0.82 RXRA (0.36) KDM1ACYP2C9TSHR
SCHEMBL8055080 0.72 GPBAR1 (0.35) KDM1A
SCHEMBL29388368 0.66 CA12 (0.45) ALOX15CA12CA1CA2CA9
SCHEMBL17864531 0.66 CA12 (0.45) ALOX15CA12CA1CA2CA9
SCHEMBL109451 0.66 CA1 (0.61) ALOX15CA12CA1CA2CA9
SCHEMBL20437077 0.66 CA12 (0.47) ALOX15CA12CA1CA2CA9
SCHEMBL23866225 0.65 NOTUM (0.56) ALOX15CA12CA1CA2CA9
SCHEMBL24619902 0.65 CA12 (0.41) ALOX15CA12CA1CA2CA9

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