SCHEMBL14722156

SCHEMBL14722156

COc1ccc(C2=CC(O)COc3c2cc(OC)c(OC)c3OC)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
SLC22A2 O15244 1/20 0.38
SLCO2B1 O94956 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL14721923 0.86 TUBB1 (0.40) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14722126 0.82 NPSR1 (0.35) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14725441 0.79 TUBB1 (0.45) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14725391 0.79 SMN1; SMN2 (0.35)
SCHEMBL14725342 0.78 TUBB1 (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14722455 0.78 TUBB4A (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14725335 0.78 TUBB4A (0.44) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14721811 0.77 TUBB4A (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14722473 0.76 TUBB4A (0.49) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14721855 0.76 TUBB4A (0.49) 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
WO-2013026942-A1 TUBULIN BINDING AGENTS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2013-02-28 WO disclosed