SCHEMBL9724720

SCHEMBL9724720

COC(=O)c1cc(CO)ccc1S(=O)(=O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
CA5A P35218 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CDK1 P06493 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 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
SCHEMBL9724745 0.87 KDM4E (0.43) CA2CA5ACA9CA12CA7
SCHEMBL9724848 0.84 CA2 (0.58) CA2CA5ACA9CA12CA3
SCHEMBL6477497 0.77 CA12 (0.55) CA2CA5ACA9CA12CA3
SCHEMBL3075763 0.74 CA12 (0.52) CA2CA5ACA9CA12CA3
SCHEMBL30949369 0.74 CA12 (0.62) CA2CA5ACA9CA12CA3
SCHEMBL8887162 0.74 CA12 (0.62) CA2CA5ACA9CA12CA3
SCHEMBL23033950 0.73 CA12 (0.51) CA2CA5ACA9CA12CA3
SCHEMBL14426335 0.73 CYP4F2 (0.53) CA2CA5ACA9CA12CA3
SCHEMBL30514539 0.73 CYP4F2 (0.53) CA2CA5ACA9CA12CA3
SCHEMBL31371288 0.73 HPGD (0.56) CA2CA5ACA9CA12CA3

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
US-5160363-A For sugarbeets E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-03 US disclosed
EP-0422031-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-17 EP disclosed
WO-1989010921-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-16 WO disclosed