SCHEMBL10940596

SCHEMBL10940596

O=CCC(c1ccccc1)(S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PTPN1 P18031 2/20 0.38
HTT P42858 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CYP2C19 P33261 3/20 0.33
KMT2A Q03164 2/20 0.33
HIF1A Q16665 1/20 0.33
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.31
NR3C2 P08235 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL10939749 0.81 TSHR (0.38) TSHRALDH1A1PTPN1HTTCYP2D6
SCHEMBL28031020 0.74 CYP1A2 (0.50) TSHRALDH1A1PTPN1CYP2D6MAPK1
SCHEMBL10939639 0.72 CYP2C19 (0.44) TSHRALDH1A1PTPN1HTTCYP2D6
SCHEMBL27880149 0.71 ALDH1A1 (0.38) TSHRALDH1A1PTPN1HTTCA1
SCHEMBL6991557 0.71 CYP2C9 (0.44) TSHRALDH1A1HTTCYP2D6SMN1; SMN2
SCHEMBL8009556 0.71 ALDH1A1 (0.42) TSHRALDH1A1PTPN1HTTCYP2D6
SCHEMBL440368 0.70 KIF11 (0.41) TSHRALDH1A1HTTCYP2C19KMT2A
SCHEMBL6544164 0.70 ALDH1A1 (0.41) TSHRALDH1A1PTPN1HTTCYP2C19
SCHEMBL28460943 0.69 PTPN1 (0.35) TSHRALDH1A1PTPN1CYP2D6MAPK1
SCHEMBL27565434 0.69 ALDH1A1 (0.46) TSHRALDH1A1PTPN1HTTCA1

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
US-4543166-A NICKEL, COBALT, ELECTRODEPOSITION, BRIGHTENERS, PUCTILITY, SULFONATES OMI INTERNATIONAL CORPORATION (US) 1985-09-24 US disclosed
US-4252619-A Brightener for zinc electroplating solutions and process OXY METAL INDUSTRIES CORPORATION (US) 1981-02-24 US disclosed