SCHEMBL3386404

SCHEMBL3386404

COc1cc(C)[c]c(O)c1OCCCc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL3434604 0.87 ADRB2 (0.45) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL3392778 0.80 SMN1; SMN2 (0.46) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3421814 0.77 PTGS1 (0.35) PTGS1PTGS2CNR2CNR1
SCHEMBL3757791 0.76 MET (0.41) SMN1; SMN2PTGS1PTGS2FFAR1FFAR4
SCHEMBL9972730 0.75 SMN1; SMN2 (0.44) SMN1; SMN2FFAR1FFAR4CNR2CNR1
SCHEMBL3757784 0.71 SMN1; SMN2 (0.43) SMN1; SMN2FFAR1FFAR4CNR2CNR1
SCHEMBL27801010 0.69 BCHE (0.53) SMN1; SMN2
SCHEMBL3754114 0.68 KCNA3 (0.41) SMN1; SMN2
SCHEMBL8408940 0.67 SLC5A1 (0.41) SMN1; SMN2PTGS1PTGS2
SCHEMBL2177920 0.67 SMN1; SMN2 (0.33) SMN1; SMN2

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