SCHEMBL14722909

SCHEMBL14722909

COc1ccc(C2=C[C@H](C=O)CCc3c2cc(OC)c(OC)c3OC)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.33
TUBB P07437 5/20 0.33
TUBA3C P0DPH7 5/20 0.33
TUBA1B P68363 5/20 0.33
TUBA4A P68366 5/20 0.33
TUBB4B P68371 5/20 0.33
TUBB3 Q13509 5/20 0.33
TUBB2A Q13885 5/20 0.33
TUBB8 Q3ZCM7 5/20 0.33
TUBA3E Q6PEY2 5/20 0.33
TUBA1A Q71U36 5/20 0.33
TUBA1C Q9BQE3 5/20 0.33
TUBB6 Q9BUF5 5/20 0.33
TUBB2B Q9BVA1 5/20 0.33
TUBB1 Q9H4B7 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL14722345 0.86 KDM4E (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14722314 0.84 CYP1A2 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14721954 0.83 KDM4E (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14721421 0.82 PDE4A (0.36) MAPTALDH1A1
SCHEMBL14721807 0.81 KDM4E (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14722154 0.79 KDM4E (0.31) MEN1KMT2AKDM4EMAPT
SCHEMBL14722126 0.74 NPSR1 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14721961 0.73 CYP19A1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14721638 0.72 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14723556 0.72 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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