SCHEMBL8770826

SCHEMBL8770826

O=S(=O)(O)Oc1ccc2ccccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
LDHA P00338 1/20 0.44
CTRB1 P17538 1/20 0.44
FABP1 P07148 1/20 0.41
ERN1 O75460 1/20 0.41
CHEK1 O14757 1/20 0.40
CDK8 P49336 1/20 0.40
NEK2 P51955 1/20 0.40
LIMK1 P53667 1/20 0.40
MPL P40238 1/20 0.40
CTRC Q99895 1/20 0.40
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1777120 0.84 MAPT (0.53) SLC22A6FABP1CHEK1MAPTCYP1A2
Potassium Ion SCHEMBL11017575 0.83 PTPN22 (0.44) PTPN22LDHACTRB1ERN1CHEK1
SCHEMBL11765036 0.82 SLC22A6 (0.47) SLC22A6FABP1ERN1MAPTCYP1A2
SCHEMBL11123677 0.81 NCEH1 (0.54) SLC22A6FABP1ERN1MAPTCYP1A2
SCHEMBL29414151 0.81 NCEH1 (0.54) SLC22A6FABP1ERN1MAPTCYP1A2
SCHEMBL5329107 0.80 MAPT (0.46) SLC22A6PTPN22ERN1CHEK1MPL
SCHEMBL275479 0.79 SLC22A6 (0.51) SLC22A6FABP1CYP1A2CYP2C19HSD17B10
Ammonia Solution, Strong SCHEMBL10605012 0.78 FABP1 (0.50) SLC22A6FABP1CYP1A2CYP2C19HSD17B10
Water SCHEMBL2147729 0.78 FABP1 (0.50) SLC22A6FABP1CYP1A2CYP2C19HSD17B10
SCHEMBL22284140 0.77 PTPN22 (0.58) PTPN22LDHAMAPTCYP1A2CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629395-B1 Keratinous fiber treatment compositions KAO CORP (JP) 1997-10-01 EP disclosed
EP-0629395-A1 Keratinous fiber treatment compositions Kao Corporation (JP) 1994-12-21 EP disclosed