SCHEMBL9542567

SCHEMBL9542567

C=CCc1cc(OC(C)=O)ccc1-c1cc(-c2ccc(OC(C)=O)cc2CC=C)cc(-c2ccc(OC(C)=O)cc2CC=C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
ACHE P22303 2/20 0.44
PTGS1 P23219 1/20 0.43
LMNA P02545 5/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 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
SCHEMBL9490716 0.81 ALOX5 (0.63) ALOX5ACHEPTGS1LMNAMAPT
SCHEMBL9748866 0.81 GABRA1 (0.54) ALOX5ACHEPTGS1LMNAMAPT
SCHEMBL17257811 0.79 ALOX5 (0.44) ALOX5ACHEPTGS1LMNAMAPT
SCHEMBL24836288 0.78 ALOX5 (0.56) ALOX5LMNA
SCHEMBL436493 0.77 ALOX5 (0.45) ALOX5ACHEPTGS1LMNAMAPT
SCHEMBL797506 0.74 SMN1; SMN2 (0.58) ALOX5ACHEPTGS1LMNAMAPT
SCHEMBL5931859 0.74 ALOX5 (0.54) ALOX5ACHEPTGS1LMNAMAPT
SCHEMBL5931917 0.72 ALOX5 (0.75) ALOX5PTGS1MAPTKDM4EGAA
SCHEMBL6376287 0.72 PTGS1 (0.56) ALOX5ACHEPTGS1LMNAMAPT
SCHEMBL9310538 0.72 GABRA1 (0.48) ALOX5MAPTKDM4EGAAPOLB

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-1993014065-A1 PROCESS FOR PREPARING 1,3,5- TRIS(4'-HYDROXYPHENYL)BENZENE AND ITS DERIVATIVES HOECHST CELANESE CORPORATION (US) 1993-07-22 WO disclosed