SCHEMBL3390347

SCHEMBL3390347

COc1cc(C)cc(OC)c1.COc1cc(C)cc(OC)c1CCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
PTPN1 P18031 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL3606088 0.92 POLB (0.48) KMT2APOLB
SCHEMBL3618576 0.82 ALOX5 (0.53) KMT2APOLB
SCHEMBL7062037 0.76 HTR2A (0.48) L3MBTL1
SCHEMBL8464452 0.75 HTR1A (0.55) ABCB1
SCHEMBL19939849 0.75 GPR55 (0.52) PTPN1POLB
SCHEMBL1972535 0.73 CYP19A1 (0.66) ABCB1L3MBTL1
SCHEMBL21568868 0.72 BCHE (0.55) KMT2AMEN1
SCHEMBL21574020 0.72 BCHE (0.50) PTPN1KMT2APOLBMEN1
SCHEMBL31644032 0.72 MAOB (0.69) ABCB1KMT2AMEN1
SCHEMBL18029929 0.72 LTA4H (0.57) ABCB1PTPN1

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
EP-2197832-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF Bionomics Limited (AU) 2010-06-23 EP disclosed
WO-2009043117-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-04-09 WO disclosed