SCHEMBL4070477

SCHEMBL4070477

COc1ccc(-c2ncoc2-c2cc(C(C)C)c(OC)cc2OC)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL4071820 0.87 P2RX3 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4246535 0.86 MAPK14 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4060653 0.85 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4241628 0.80 P2RX3 (0.49) P2RX3P2RX2MAPK14
SCHEMBL4072459 0.79 HSP90AA1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13848290 0.78 HDAC1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4245120 0.78 P2RX3 (0.39) P2RX3P2RX2PIK3CAMAPK14
SCHEMBL4058858 0.78 P2RX3 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27840145 0.77 PDE10A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4063295 0.77 MAPT (0.46) MAPK1ALDH1A1HPGDL3MBTL1PDE4A

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
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed