SCHEMBL8501156

SCHEMBL8501156

CS(=O)(=O)Oc1ccc(C(F)(C(F)F)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
KIF11 P52732 1/20 0.39
ALDH1A1 P00352 2/20 0.37
IDH1 O75874 2/20 0.37
MMP2 P08253 2/20 0.35
MMP7 P09237 2/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
HSD11B1 P28845 1/20 0.35
MMP1 P03956 1/20 0.35
CXCR2 P25025 2/20 0.35
CA12 O43570 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CXCR1 P25024 1/20 0.34
CA5A P35218 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 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
SCHEMBL8503005 0.85 CA2 (0.43) CA2CA1CA9KIF11HSD11B1
SCHEMBL8502840 0.80 CA2 (0.42) CA2CA1CA9KIF11ALDH1A1
SCHEMBL3838858 0.79 CA2 (0.47) CA2CA1CA9KIF11ALDH1A1
SCHEMBL6937934 0.78 CA1 (0.66) CA2CA1CA9KIF11ALDH1A1
SCHEMBL7647444 0.75 ESR1 (0.35)
SCHEMBL19210107 0.75 HSD11B1 (0.60) ALDH1A1HSD11B1
SCHEMBL3682645 0.74 CA2 (0.46) CA2CA1CA9KIF11ALDH1A1
SCHEMBL3844051 0.73 CA1 (0.42) CA2CA1CA9KIF11ALDH1A1
SCHEMBL8501153 0.73 ALDH1A1 (0.41) CA2CA1CA9KIF11ALDH1A1
SCHEMBL28666309 0.73 LMNA (0.47) KIF11ALDH1A1KDM4EGAATRPV1

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-0956312-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR Corporation (JP) 1999-11-17 EP disclosed
WO-1998033836-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR CORPORATION (JP) 1998-08-06 WO disclosed