SCHEMBL4836259

SCHEMBL4836259

[CH2]c1c(OC)ccc(O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
TUBB1 Q9H4B7 10/20 0.43
TUBB4A P04350 9/20 0.43
TUBB P07437 9/20 0.43
TUBA3C P0DPH7 9/20 0.43
TUBA1B P68363 9/20 0.43
TUBA4A P68366 9/20 0.43
TUBB4B P68371 9/20 0.43
TUBB3 Q13509 9/20 0.43
TUBB2A Q13885 9/20 0.43
TUBB8 Q3ZCM7 9/20 0.43
TUBA3E Q6PEY2 9/20 0.43
TUBA1A Q71U36 9/20 0.43
TUBA1C Q9BQE3 9/20 0.43
TUBB6 Q9BUF5 9/20 0.43
TUBB2B Q9BVA1 9/20 0.43
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL5248756 0.81 MAPT (0.41) MAPTCYP3A4CA1CA2KDM4E
SCHEMBL1402414 0.79 MAPT (0.48) MAOBTUBB1TUBB4ATUBBTUBA3C
SCHEMBL27770681 0.77 MAPT (0.47) MAOBTUBB1TUBB4ATUBBTUBA3C
SCHEMBL5349727 0.77 CYP3A4 (0.54) MAOBTUBB1TUBB4ATUBBTUBA3C
SCHEMBL5141870 0.76 MAOB (0.45) MAOBTUBB1TUBB4ATUBBTUBA3C
SCHEMBL29421917 0.76 MAOB (0.45) MAOBTUBB1TUBB4ATUBBTUBA3C
SCHEMBL69925 0.75 TDP1 (0.52) MAOBHIF1AEPAS1MAPTTP53
SCHEMBL29403778 0.75 TDP1 (0.52) MAOBHIF1AEPAS1MAPTTP53
SCHEMBL6228053 0.74 TUBB1 (0.45) MAOBTUBB1TUBB4ATUBBTUBA3C
SCHEMBL4836027 0.74 TUBB1 (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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
US-7368463-B2 Substituted 4-amino-1-benzylpiperidine compounds THERAVANCE, INC. (US) 2008-05-06 US disclosed