SCHEMBL8501153

SCHEMBL8501153

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
ALDH1A1 P00352 2/20 0.41
CXCR2 P25025 2/20 0.40
CXCR1 P25024 1/20 0.40
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
CA2 P00918 5/20 0.36
CA5A P35218 2/20 0.36
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
MMP2 P08253 2/20 0.35
MMP7 P09237 2/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
HPGD P15428 1/20 0.35
MMP1 P03956 1/20 0.35
CA12 O43570 2/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 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
SCHEMBL8503003 0.85 CXCR2 (0.48) CXCR2CXCR1CA2CA1CA9
SCHEMBL10701705 0.79 MEN1 (0.50) ALDH1A1CA2CA1CA9HPGD
SCHEMBL22159396 0.75 ESR1 (0.38)
SCHEMBL8501156 0.73 CA2 (0.42) ALDH1A1CXCR2CXCR1KDM4EGAA
SCHEMBL8502840 0.73 CA2 (0.42) ALDH1A1CXCR2CXCR1KDM4EGAA
SCHEMBL28666307 0.73 LMNA (0.47) ALDH1A1KDM4EGAA
SCHEMBL575589 0.73 CA2 (0.52) ALDH1A1KDM4EGAACA2CA5A
SCHEMBL3511754 0.72 CA2 (0.50) ALDH1A1CXCR2CXCR1KDM4EGAA
SCHEMBL3838858 0.72 CA2 (0.47) ALDH1A1CXCR2KDM4EGAACA2
SCHEMBL1820936 0.71 ALDH1A1 (0.43) ALDH1A1CXCR2CXCR1KDM4EGAA

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 3 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
EP-0278414-A2 Process for the preparation of reaction products of 2,2-bis (4-hydroxyphenyl) hexafluoropropane, and the derivatives obtained HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP disclosed