SCHEMBL17612136

SCHEMBL17612136

Cc1ccc(S(=O)(=O)OCCOCCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
STAT3 P40763 1/20 0.36
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
GAA P10253 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
VDR P11473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33
PSMD10 O75832 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
SCHEMBL9995667 0.91 CA12 (0.40) ALDH1A1CA12CA1CA9STAT3
SCHEMBL14795273 0.88 ALDH1A1 (0.43) ALDH1A1CA12CA1CA9STAT3
SCHEMBL2348771 0.85 PSMD10 (0.41) ALDH1A1CA12CA1CA9STAT3
SCHEMBL18644929 0.84 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL4379133 0.84 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL18613994 0.84 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL881292 0.84 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL922407 0.84 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL478342 0.84 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3
SCHEMBL1145153 0.84 ALDH1A1 (0.53) ALDH1A1CA12CA1CA9STAT3

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-20160276109-A1 Solid Organic Electrolytes CLARKSON UNIVERSITY (US) 2016-09-22 US disclosed
US-9293786-B1 Solid organic electrolytes CLARKSON UNIVERSITY (US) 2016-03-22 US disclosed