SCHEMBL9238385

SCHEMBL9238385

COc1ccc(C=Cc2ccc(O)c(O)c2)c(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.61
RELA Q04206 1/20 0.61
ALOX5 P09917 2/20 0.56
CYP1A2 P05177 4/20 0.50
CYP1A1 P04798 3/20 0.50
CYP1B1 Q16678 3/20 0.50
NFE2L2 Q16236 2/20 0.48
LCK P06239 2/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP1 P03956 1/20 0.45
ALOX12 P18054 2/20 0.44
RGS12 O14924 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL9239060 0.82 CYP1A1 (0.69) NQO2CYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL9239065 0.82 CYP1A1 (0.69) NQO2CYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL9241999 0.79 LCK (0.50) NQO2RELAALOX5CYP1A2LCK
SCHEMBL9241985 0.79 LCK (0.50) NQO2RELAALOX5CYP1A2LCK
SCHEMBL15937804 0.78 NQO1 (0.51) RELACYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL15937803 0.78 NQO1 (0.51) RELACYP1A2CYP1A1CYP1B1NFE2L2
SCHEMBL5495964 0.77 NQO2 (1.00) NQO2RELAALOX5CYP1A2CYP1A1
SCHEMBL30940357 0.77 NQO2 (1.00) NQO2RELAALOX5CYP1A2CYP1A1
SCHEMBL5495966 0.77 NQO2 (1.00) NQO2RELAALOX5CYP1A2CYP1A1
SCHEMBL7103558 0.77 CYP1A2 (0.63) CYP1A2CYP1A1CYP1B1NFE2L2CYP3A4

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-0640586-A1 STILBENE DERIVATIVE AND STILBENE ANALOG DERIVATIVE, AND USE THEREOF MORINAGA MILK INDUSTRY CO., LTD. (JP) 1995-03-01 EP disclosed