SCHEMBL1668414

SCHEMBL1668414

COc1ccc(B(O)O)c(OC)c1.COc1ccc(B(O)O)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ERN1 O75460 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ENPP2 Q13822 3/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 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
SCHEMBL321488 0.84 POLB (0.52) CA1CA2ERN1POLBTDP1
SCHEMBL29496939 0.82 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL203357 0.82 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL24994751 0.71 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL29951950 0.71 KDM4E (0.46) ERN1ENPP2TUBB4ATUBBTUBA3C
SCHEMBL3241115 0.71 KDM4E (0.46) ERN1ENPP2TUBB4ATUBBTUBA3C
SCHEMBL30974639 0.69 TUBB4A (0.49) CA1CA2CA12CA7CA9
SCHEMBL24994755 0.69 CA1 (0.45) CA1CA2CA12CA7CA9
SCHEMBL8702248 0.69 CA1 (0.41) CA1CA2CA12CA7CA9
SCHEMBL194963 0.69 ENPP2 (0.36) CA1CA2POLBTDP1ENPP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 WO disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed