SCHEMBL8457643

SCHEMBL8457643

C=CC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.48
KIF11 P52732 9/20 0.47
KCNH2 Q12809 1/20 0.47
TRPA1 O75762 1/20 0.47
LTA4H P09960 2/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 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
Ethylene Glycol SCHEMBL8402913 0.92 KIF11 (0.46) CA4KIF11KCNH2TRPA1LTA4H
SCHEMBL28803424 0.81 KIF11 (0.46) CA4KIF11KCNH2TRPA1LTA4H
SCHEMBL912658 0.81 ALDH1A1 (0.41) ALDH1A1CYP3A4ALOX15TSHR
Ammonia Solution, Strong SCHEMBL6679103 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL9595065 0.78 CA4 (0.54) CA4KIF11KCNH2TRPA1LTA4H
SCHEMBL8522135 0.78 CA4 (0.54) CA4KIF11KCNH2TRPA1LTA4H
SCHEMBL5051055 0.77 CA4 (0.59) CA4KIF11KCNH2TRPA1LTA4H
SCHEMBL1286989 0.77 CA4 (0.59) CA4KIF11KCNH2TRPA1LTA4H
SCHEMBL14856630 0.77 CA4 (0.59) CA4KIF11KCNH2TRPA1LTA4H
SCHEMBL8648265 0.77 CA4 (0.59) CA4KIF11KCNH2TRPA1LTA4H

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022297-A9 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS 1996-10-03 WO claimed
EP-0880532-A4 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1999-06-09 EP disclosed
EP-0880532-A1 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1998-12-02 EP disclosed
WO-1997028168-A1 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1997-08-07 WO disclosed
WO-1996022297-A9 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS 1996-10-03 WO disclosed