SCHEMBL8336774

SCHEMBL8336774

C=Cc1cccc(S(=O)(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 2/20 0.37
ERN1 O75460 2/20 0.35
PGAM1 P18669 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MYC P01106 1/20 0.33
ATIC P31939 1/20 0.33
SLC9A1 P19634 1/20 0.33
CDK2 P24941 2/20 0.33
RAD1 O60671 1/20 0.33
P2RY6 Q15077 1/20 0.33
CYP2D6 P10635 1/20 0.33
FABP4 P15090 1/20 0.33
CCNA2 P20248 1/20 0.33
MAPK14 Q16539 1/20 0.33
NR4A1 P22736 1/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL2543853 0.82 TTR (0.40) TTRTDP1CYP1A2AURKAAURKB
SCHEMBL10480252 0.82 ERN1 (0.55) TTRTDP1CYP1A2ERN1PGAM1
SCHEMBL8341041 0.82 TDP1 (0.39) TDP1CYP1A2PGAM1AURKAAURKB
SCHEMBL438031 0.82 TTR (0.40) TTRTDP1CYP1A2AURKAAURKB
SCHEMBL15000 0.82 TDP1 (0.44) TTRTDP1CYP1A2PGAM1ALDH1A1
SCHEMBL29361804 0.82 TDP1 (0.44) TTRTDP1CYP1A2PGAM1ALDH1A1
Ammonia Solution, Strong SCHEMBL18492496 0.81 TTR (0.39) TTRTDP1CYP1A2AURKAAURKB
Ethylene SCHEMBL28187575 0.81 TTR (0.39) TTRTDP1CYP1A2AURKAAURKB
SCHEMBL332205 0.80 TDP1 (0.43) TTRTDP1CYP1A2PGAM1ALDH1A1
SCHEMBL6131308 0.80 TDP1 (0.43) TTRTDP1CYP1A2PGAM1ALDH1A1

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-1999005986-A1 IMPROVED DENTAL FLOSS WHITEHILL ORAL TECHNOLOGIES, INC. (US) 1999-02-11 WO disclosed