SCHEMBL8503003

SCHEMBL8503003

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.48
CXCR1 P25024 1/20 0.47
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
HTR1D P28221 5/20 0.36
HTR1A P08908 4/20 0.36
HTR1B P28222 4/20 0.36
CA9 Q16790 2/20 0.36
HSD11B1 P28845 1/20 0.35
KIF11 P52732 1/20 0.33
PTPN1 P18031 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
SCHEMBL8501153 0.85 ALDH1A1 (0.41) CXCR2CXCR1CA2CA1CA9
SCHEMBL576035 0.79 CA2 (0.50) CXCR2CXCR1CA2CA1DRD2
SCHEMBL10701705 0.77 MEN1 (0.50) CA2CA1CA9
SCHEMBL22159396 0.77 ESR1 (0.38)
SCHEMBL16172609 0.77 CXCR2 (0.59) CXCR2CXCR1CA2CA1DRD2
SCHEMBL28542275 0.75 LMNA (0.42) KIF11PTPN1
SCHEMBL13906583 0.74 CXCR2 (0.49) CXCR2CXCR1CA2CA1DRD2
SCHEMBL5179823 0.73 PTPN1 (0.53) CXCR2CXCR1CA2CA1DRD2
SCHEMBL1713465 0.73 KIF11 (0.55) CXCR2CXCR1CA2CA1DRD2
Hydrochloric Acid SCHEMBL2424044 0.72 CXCR2 (0.55) CXCR2CXCR1CA2CA1DRD2

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