SCHEMBL6828096

SCHEMBL6828096

COc1ccc(B(O)O)c(OC)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.49
TUBB P07437 4/20 0.49
TUBA3C P0DPH7 4/20 0.49
TUBA1B P68363 4/20 0.49
TUBA4A P68366 4/20 0.49
TUBB4B P68371 4/20 0.49
TUBB3 Q13509 4/20 0.49
TUBB2A Q13885 4/20 0.49
TUBB8 Q3ZCM7 4/20 0.49
TUBA3E Q6PEY2 4/20 0.49
TUBA1A Q71U36 4/20 0.49
TUBA1C Q9BQE3 4/20 0.49
TUBB6 Q9BUF5 4/20 0.49
TUBB2B Q9BVA1 4/20 0.49
TUBB1 Q9H4B7 4/20 0.49
ENPP2 Q13822 1/20 0.47
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL5796549 0.87 ENPP2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29951996 0.87 ENPP2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3687594 0.83 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29466487 0.83 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23439 0.83 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4251196 0.81 ENPP2 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3328067 0.79 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL70690 0.78 ACHE (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23461783 0.78 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29919096 0.78 TUBB4A (0.37) 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-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed