SCHEMBL15760397

SCHEMBL15760397

Cc1cc(C)cc(C(F)(F)S(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 3/20 0.33
TPMT P51580 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
IDH1 O75874 1/20 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
SCHEMBL11592132 0.84 PTPN1 (0.52) PTPN1PGK1PGK2CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL29181639 0.81 PGK1 (0.40) PTPN1PGK1PGK2CA1CA2
SCHEMBL3874006 0.77 PTPN1 (0.53) PTPN1CA1CA2CA5ACA9
SCHEMBL28511894 0.74 PGK1 (0.35) PGK1PGK2CA1CA2CA5A
SCHEMBL11589930 0.74 PTPN1 (0.58) PTPN1PGK1PGK2CA1CA2
Sulfuric Acid SCHEMBL6214534 0.72 ALDH1A1 (0.50) CA1CA2CA5AALDH1A1TPMT
Trifluoromethanesulfonic Acid SCHEMBL27446637 0.72 PGK1 (0.34) PGK1PGK2CA1CA2CA5A
SCHEMBL15759855 0.71 PTPN1 (0.42) PTPN1PGK1PGK2CA1CA2
SCHEMBL14547588 0.71 PGK1 (0.43) PGK1PGK2CA2ALDH1A1TPMT
SCHEMBL27617593 0.70 CA1 (0.48) CA1CA2CA9ALDH1A1TPMT

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-20140154610-A1 AROMATIC COPOLYMER HAVING PROTON CONDUCTIVE GROUP AND USES THEREOF JSR CORPORATION (JP) 2014-06-05 US disclosed
US-20140154610-A1 AROMATIC COPOLYMER HAVING PROTON CONDUCTIVE GROUP AND USES THEREOF JSR CORPORATION (JP) 2014-06-05 US disclosed