SCHEMBL4063989

SCHEMBL4063989

CC(C)NC(=O)c1cc(B(O)O)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
PSMB5 P28074 3/20 0.41
PADI4 Q9UM07 1/20 0.41
PSMB11 A5LHX3 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMA1 P25786 1/20 0.41
PSMA2 P25787 1/20 0.41
PSMA3 P25788 1/20 0.41
PSMA4 P25789 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMA5 P28066 1/20 0.41
PSMB4 P28070 1/20 0.41
PSMB6 P28072 1/20 0.41
PSMB10 P40306 1/20 0.41
PSMB3 P49720 1/20 0.41
PSMB2 P49721 1/20 0.41
PSMA6 P60900 1/20 0.41
PSMA8 Q8TAA3 1/20 0.41

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
SCHEMBL29952959 1.00 ALOX5 (0.42) ALOX5PSMB5PADI4PSMB11PSMA7
SCHEMBL13717846 0.88 ALOX5 (0.42) ALOX5PSMB5KCNA3ERN1GAA
SCHEMBL29919280 0.82 GAA (0.53) PSMB5PADI4PSMB11PSMA7PSMB1
SCHEMBL3326392 0.82 GAA (0.53) PSMB5PADI4PSMB11PSMA7PSMB1
SCHEMBL29952155 0.81 MAP2K1 (0.40) PSMB5PADI4PSMB11PSMA7PSMB1
SCHEMBL29952586 0.81 PSMB5 (0.44) ALOX5PSMB5PSMB11PSMA7PSMB1
SCHEMBL7137660 0.80 CES2 (0.55) ALOX5PSMB5PSMB11PSMA7PSMB1
SCHEMBL237491 0.79 ALDH1A1 (0.43) ERN1GAAALDH1A1
SCHEMBL29597336 0.79 ALDH1A1 (0.43) ERN1GAAALDH1A1
SCHEMBL14702328 0.79 ALDH1A1 (0.47) ALOX5KCNA3KAT6AMAPK14GAA

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-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed