SCHEMBL2901877

SCHEMBL2901877

CC(C)(C)OCCc1cc2cc(C(=O)O)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.47
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
HDAC6 Q9UBN7 1/20 0.43
TP53 P04637 2/20 0.42
HRH3 Q9Y5N1 8/20 0.41
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH2 P25021 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL2904768 0.87 TP53 (0.46) F2F10HDAC6TP53HRH3
SCHEMBL6300465 0.80 TBXAS1 (0.53) TBXAS1F2F10HDAC6TP53
SCHEMBL3244824 0.78 TBXAS1 (0.51) TBXAS1F2F10TP53HRH3
SCHEMBL7795543 0.77 TBXAS1 (0.53) TBXAS1F2F10TP53HRH3
SCHEMBL6298868 0.77 TBXAS1 (0.56) TBXAS1F2F10HDAC6TP53
SCHEMBL5044528 0.76 TBXAS1 (0.47) TBXAS1F2F10HDAC6TP53
SCHEMBL4424912 0.76 TBXAS1 (0.45) TBXAS1F2F10HDAC6TP53
SCHEMBL9255034 0.76 HDAC6 (0.56) HDAC6TP53
SCHEMBL2899899 0.76 PTGES (0.43) F2F10HDAC6TP53HRH3
SCHEMBL7917223 0.76 TBXAS1 (0.49) TBXAS1F2F10TP53

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