SCHEMBL4776934

SCHEMBL4776934

COc1cc(-c2ccccc2)c(OC)c(C(=O)Cl)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
TUBB4A P04350 13/20 0.46
TUBB P07437 13/20 0.46
TUBA3C P0DPH7 13/20 0.46
TUBA1B P68363 13/20 0.46
TUBA4A P68366 13/20 0.46
TUBB4B P68371 13/20 0.46
TUBB3 Q13509 13/20 0.46
TUBB2A Q13885 13/20 0.46
TUBB8 Q3ZCM7 13/20 0.46
TUBA3E Q6PEY2 13/20 0.46
TUBA1A Q71U36 13/20 0.46
TUBA1C Q9BQE3 13/20 0.46
TUBB6 Q9BUF5 13/20 0.46
TUBB2B Q9BVA1 13/20 0.46
TUBB1 Q9H4B7 13/20 0.46
HK2 P52789 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL29034612 0.88 MEN1 (0.53) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4778744 0.85 HTT (0.52) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29248145 0.81 MEN1 (0.53) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30901037 0.81 MEN1 (0.53) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1902007 0.79 HTT (0.52) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28792606 0.78 MEN1 (0.53) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29672066 0.78 MEN1 (0.53) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28788991 0.78 MEN1 (0.50) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL205626 0.77 PDE4B (0.50) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6535979 0.76 PDE4B (0.63) HTTTUBB4ATUBBTUBA3CTUBA1B

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-1940372-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS Revotar Biopharmaceuticals AG (DE) 2008-07-09 EP disclosed
WO-2007039113-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 WO disclosed