SCHEMBL8464480

SCHEMBL8464480

O=C(O)c1cc(S(=O)(=O)O)cc(C(=O)O)c1I(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
S1PR3 Q99500 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PHLPP2 Q6ZVD8 1/20 0.36
ING2 Q9H160 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL8459916 0.89 HSD17B10 (0.45) HSD17B10ALDH1A1LCKFYNKDM4E
SCHEMBL2988901 0.77 LCK (0.56) HSD17B10ALDH1A1LCKFYNKDM4E
SCHEMBL8462610 0.76 HSD17B10 (0.59) HSD17B10ALDH1A1LCKFYNKDM4E
SCHEMBL2990424 0.75 LCK (0.54) HSD17B10ALDH1A1LCKFYNKDM4E
SCHEMBL27902661 0.75 LCK (0.54) HSD17B10ALDH1A1LCKFYNKDM4E
SCHEMBL27487313 0.75 LCK (0.54) HSD17B10ALDH1A1LCKFYNKDM4E
SCHEMBL484016 0.75 LCK (0.54) HSD17B10ALDH1A1LCKFYNKDM4E
SCHEMBL5698385 0.75 LCK (0.54) HSD17B10ALDH1A1LCKFYNKDM4E
SCHEMBL2917593 0.75 LCK (0.54) HSD17B10ALDH1A1LCKFYNKDM4E
SCHEMBL8460400 0.74 CA1 (0.46) HSD17B10ALDH1A1KDM4EHPGDKMT2A

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-0745326-B1 Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1999-09-22 EP disclosed
US-5594017-A WITH AN IODOSYL OR IODYL COMPOUND ROHM AND HAAS COMPANY (US) 1997-01-14 US disclosed
EP-0745326-A1 Stabilization of aqueous 3-isothiazolone solutions ROHM AND HAAS COMPANY (US) 1996-12-04 EP disclosed