SCHEMBL2904768

SCHEMBL2904768

COC(=O)c1ccc2oc(CCOC(C)(C)C)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
HRH3 Q9Y5N1 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
CREBBP Q92793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 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
SCHEMBL2901877 0.87 TBXAS1 (0.47) TP53HDAC6F2F10HRH3
SCHEMBL5027947 0.87 F2 (0.56) TP53POLBTHRBHDAC6F2
SCHEMBL5032872 0.84 F2 (0.50) TP53POLBTHRBHDAC6F2
SCHEMBL5034766 0.84 F2 (0.50) TP53POLBTHRBHDAC6F2
SCHEMBL6298871 0.83 F2 (0.49) TP53POLBTHRBHDAC6F2
SCHEMBL5032864 0.83 F2 (0.49) TP53POLBTHRBHDAC6F2
SCHEMBL5030384 0.81 CYP4A11 (0.52) TP53POLBTHRBHDAC6F2
SCHEMBL5673192 0.81 F2 (0.47) TP53POLBTHRBHDAC6F2
SCHEMBL24570865 0.80 HDAC6 (0.52) TP53POLBTHRBHDAC6F2
SCHEMBL30514526 0.80 HDAC6 (0.52) TP53POLBTHRBHDAC6F2

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
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed