SCHEMBL3359345

SCHEMBL3359345

COc1cc(C=Cc2ccc(O)c(Cl)c2)cc(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.73
NQO2 P16083 8/20 0.64
NQO1 P15559 1/20 0.64
ABL1 P00519 6/20 0.63
BCR P11274 6/20 0.63
ABCB1 P08183 5/20 0.63
CYP1A1 P04798 6/20 0.62
CYP1B1 Q16678 6/20 0.62
TTR P02766 4/20 0.62
PTGS2 P35354 3/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
PTGS1 P23219 1/20 0.62
MAPK1 P28482 1/20 0.62
RAB9A P51151 1/20 0.62
GFER P55789 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL3359344 1.00 ALOX5 (0.73) ALOX5NQO2NQO1ABL1BCR
SCHEMBL30603258 0.84 ALOX5 (1.00) ALOX5NQO2NQO1ABL1BCR
SCHEMBL17534875 0.84 ALOX5 (1.00) ALOX5NQO2NQO1ABL1BCR
SCHEMBL13222741 0.84 ALOX5 (1.00) ALOX5NQO2NQO1ABL1BCR
SCHEMBL9622274 0.82 LCK (0.61) ALOX5NQO2TTRKDM4EMEN1
SCHEMBL9622273 0.82 LCK (0.61) ALOX5NQO2TTRKDM4EMEN1
SCHEMBL3362009 0.81 NQO2 (0.72) ALOX5NQO2NQO1ABL1BCR
SCHEMBL3360764 0.81 NQO2 (0.72) ALOX5NQO2NQO1ABL1BCR
SCHEMBL25328702 0.81 ALOX5 (1.00) ALOX5NQO2NQO1ABL1BCR
SCHEMBL25328697 0.81 ALOX5 (1.00) ALOX5NQO2NQO1ABL1BCR

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
WO-2010046926-A2 NOVEL STILBENE ANALOGS APTUIT LAURUS PVT LTD (IN) 2010-04-29 WO claimed
WO-2010046926-A2 NOVEL STILBENE ANALOGS APTUIT LAURUS PVT LTD (IN) 2010-04-29 WO disclosed