SCHEMBL6961773

SCHEMBL6961773

COc1ccc(C=C2Cc3cc(OC)c(OC)cc3C2=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.74
ABCB1 P08183 1/20 0.74
MAOA P21397 1/20 0.74
CES2 O00748 2/20 0.72
APP P05067 1/20 0.71
ACHE P22303 8/20 0.70
TUBB4A P04350 1/20 0.67
TUBB P07437 1/20 0.67
TUBA3C P0DPH7 1/20 0.67
TUBA1B P68363 1/20 0.67
TUBA4A P68366 1/20 0.67
TUBB4B P68371 1/20 0.67
TUBB3 Q13509 1/20 0.67
TUBB2A Q13885 1/20 0.67
TUBB8 Q3ZCM7 1/20 0.67
TUBA3E Q6PEY2 1/20 0.67
TUBA1A Q71U36 1/20 0.67
TUBA1C Q9BQE3 1/20 0.67
TUBB6 Q9BUF5 1/20 0.67
TUBB2B Q9BVA1 1/20 0.67

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
SCHEMBL6961770 1.00 MAOB (0.74) MAOBABCB1MAOACES2APP
SCHEMBL29038289 0.89 CES2 (0.80) MAOBMAOACES2ACHEMIF
SCHEMBL29038294 0.89 CES2 (0.80) MAOBMAOACES2ACHEMIF
SCHEMBL31501134 0.88 MAOB (0.73) MAOBABCB1MAOACES2APP
SCHEMBL5690576 0.88 MIF (0.69) MAOBABCB1MAOAACHETUBB4A
SCHEMBL5690658 0.87 MAOB (0.64) MAOBABCB1MAOACES2APP
SCHEMBL8010257 0.87 ACHE (0.74) MAOBABCB1MAOAAPPACHE
SCHEMBL27820343 0.87 ACHE (0.74) MAOBABCB1MAOAAPPACHE
SCHEMBL30413650 0.87 MAOB (0.84) MAOBMAOACES2ACHEMIF
SCHEMBL28927416 0.87 MAOB (0.84) MAOBMAOACES2ACHEMIF

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
EP-1023063-B1 INDENO[1,2-c], NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES ABBOTT GMBH & CO KG (DE) 2003-09-10 EP disclosed