SCHEMBL8563830

SCHEMBL8563830

COc1c(C(C)(C)C)cc(COc2c[c]ccc2)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.37
DHFR P00374 1/20 0.37
TUBB1 Q9H4B7 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
FFAR1 O14842 6/20 0.36
APP P05067 1/20 0.35

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
SCHEMBL8558338 0.83 DHFR (0.40) MAOBDHFRTUBB1TUBB4ATUBB
SCHEMBL28815833 0.80 MAOB (0.50) MAOBAPP
SCHEMBL919554 0.76 MAOB (0.59) MAOBAPP
SCHEMBL6154800 0.76 APP (0.54) MAOBAPP
SCHEMBL921127 0.75 APP (0.53) MAOBAPP
SCHEMBL5669738 0.75 PARP10 (0.45) MAOBFFAR1
SCHEMBL921602 0.72 MAOB (0.43) MAOB
SCHEMBL7969869 0.71 RAB9A (0.49) MAOBTUBB1TUBB4ATUBBTUBA3C
SCHEMBL95949 0.71 MAOB (0.50) MAOBAPP
SCHEMBL27629929 0.70 LMNA (0.49) MAOBTUBB1TUBB4ATUBBTUBA3C

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-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed