SCHEMBL5962012

SCHEMBL5962012

COc1ccc(C2=Cc3cc(O)c(O)cc3OC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 4/20 0.45
ALOX15 P16050 3/20 0.45
NR1H4 Q96RI1 2/20 0.43
ALOX5 P09917 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
HTT P42858 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
SCHEMBL952469 0.84 NR1H4 (0.54) ALOX12NR1H4ALOX5CYP3A4CYP2C9
SCHEMBL2755032 0.84 ALOX5 (0.40) ALOX12ALOX15NR1H4ALOX5CYP3A4
SCHEMBL677785 0.83 ESR2 (0.42) ALOX12ALOX15NR1H4ALOX5ESR2
SCHEMBL4408650 0.80 RARA (0.40) ALOX12ALOX15NR1H4GAAESR2
SCHEMBL16092805 0.79 BACE1 (0.51) NR1H4ALOX5CYP3A4SMN1; SMN2MAPT
SCHEMBL616913 0.77 ALOX15 (0.46) ALOX12ALOX15NR1H4NPC1RAB9A
SCHEMBL2069736 0.77 ALOX5 (0.51) NR1H4ALOX5CYP3A4NPC1RAB9A
SCHEMBL2070644 0.76 ESR2 (0.39) ALOX12ALOX15NR1H4ALOX5NPC1
SCHEMBL14374106 0.76 ALOX5 (0.47) ALOX12NR1H4ALOX5NPC1RAB9A
SCHEMBL12946430 0.74 ALOX5 (0.43) ALOX12NR1H4ALOX5CYP3A4CYP1A2

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
EP-1189897-B1 ISOFLAVONE METABOLITES G J CONSULTANTS PTY LTD (AU) 2006-10-18 EP disclosed