SCHEMBL9809407

SCHEMBL9809407

Nc1cc(Cl)ccc1S(=O)(=O)CCOS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
ALDH1A1 P00352 5/20 0.37
ALOX15 P16050 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 2/20 0.37
ABL1 P00519 1/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
THRB P10828 1/20 0.33
CASP1 P29466 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
SCHEMBL9811303 0.84 CA2 (0.45) CA2ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL7632384 0.83 CA2 (0.55) CA2ALDH1A1HSD17B10CYP2C9THRB
SCHEMBL8694925 0.82 CA2 (0.54) CA2ALDH1A1HSD17B10CYP2C9TSHR
SCHEMBL9809403 0.81 CA2 (0.40) CA2ALDH1A1ALOX15SMN1; SMN2HPGD
SCHEMBL8552518 0.81 CA2 (0.42) CA2ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9558895 0.80 CA2 (0.46) CA2ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL9338166 0.79 CA2 (0.45) CA2ALDH1A1ALOX15SMN1; SMN2HPGD
SCHEMBL1170678 0.78 KYNU (0.47) CA2ALDH1A1ALOX15HSD17B10CYP2C9
SCHEMBL8951874 0.77 CA2 (0.39) CA2ALDH1A1ALOX15SMN1; SMN2HPGD
SCHEMBL8951824 0.76 HSD17B10 (0.37) CA2ALDH1A1ALOX15HPGDHSD17B10

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
US-5015731-A For fibers such as wool and cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed