SCHEMBL4751271

SCHEMBL4751271

CC(C)(C)OC(=O)c1cc(NCS(C)(=O)=O)cc(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
SLC7A5 Q01650 1/20 0.34
F2 P00734 5/20 0.34
TMPRSS6 Q8IU80 3/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PPARA Q07869 1/20 0.33
WDR5 P61964 1/20 0.33
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4748774 0.90 ALDH1A1 (0.43) STAT3CA12CA1CA2CA9
SCHEMBL165561 0.86 ALDH1A1 (0.46) CA12CA1CA2CA9CA14
SCHEMBL3960465 0.79 ALDH1A1 (0.50) CA12CA1CA2CA9CA14
SCHEMBL6577887 0.79 TPMT (0.43) CA12CA1CA2CA9CA14
SCHEMBL3403399 0.79 TPMT (0.43) CA12CA1CA2CA9CA14
SCHEMBL20894429 0.76 KDM4E (0.47) CA12CA1CA2CA9CA14
SCHEMBL25708271 0.73 TPMT (0.57) CA12CA1CA2CA9CA14
SCHEMBL4751276 0.72 CA12 (0.38) STAT3CA12CA1CA2CA9
SCHEMBL7058435 0.72 CA12 (0.47) STAT3CA12CA1CA2CA9
SCHEMBL20928667 0.71 SLC7A5 (0.38) CA12CA1CA2CA9CA14

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-2008135488-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-11-13 WO disclosed