SCHEMBL7030271

SCHEMBL7030271

Cc1cc(OS(=O)(=O)C(F)(F)F)c(-c2c(OS(=O)(=O)C(F)(F)F)cc(C)c(C)c2C)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
DRD5 P21918 2/20 0.32
DRD3 P35462 2/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
EPAS1 Q99814 1/20 0.31
HSD11B1 P28845 1/20 0.31
CXCR2 P25025 2/20 0.31
ESR2 Q92731 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CXCR1 P25024 1/20 0.30

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
Hydrogen Sulfide SCHEMBL15796096 0.86 ESR2 (0.33) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7029405 0.85 EPAS1 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL27891488 0.83 DRD2 (0.31) DRD2DRD1DRD4DRD5DRD3
SCHEMBL14240535 0.83 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7028168 0.82 KMT2A (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6938167 0.79 DRD2 (0.34) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6740755 0.79 ALDH1A1 (0.41) EPAS1CA1CA2
SCHEMBL10073222 0.77 CXCR2 (0.40) DRD2DRD3HTR2CHTR7HTR6
SCHEMBL17864633 0.76 MEN1 (0.41) HTR2C
SCHEMBL15725320 0.76 HSD11B1 (0.33) DRD2DRD3HTR2CHTR7HTR6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684249-B1 Phosphine compounds, complexes containing the phosphine compounds as ligands, and process for producing optically active aldehydes using the phosphine compounds or complexes TAKASAGO PERFUMERY CO LTD (JP) 2003-02-19 EP disclosed
EP-0684230-B1 4- (R)-1'-formylethyl azetidin-2-one derivatives TAKASAGO PERFUMERY CO LTD (JP) 2002-07-03 EP disclosed
EP-0614903-B1 Process for producing optically active aldehydes using transition metal-phosphine complexes, and process for producing intermediates for carbapenem antibiotics using the same complexes TAKASAGO PERFUMERY CO LTD (JP) 2000-09-20 EP disclosed
EP-0684249-A1 Phosphine compounds, complexes containing the phosphine compounds as ligands, and process for producing optically active aldehydes using the phosphine compounds or complexes Takasago International Corporation (JP) 1995-11-29 EP disclosed
EP-0684230-A1 4- (R)-1'-formylethyl azetidin-2-one derivatives Takasago International Corporation (JP) 1995-11-29 EP disclosed
EP-0614903-A2 Phosphine compounds, complexes containing the phosphine compounds as ligands, process for producing optically active aldehydes using the phosphine compounds, or complexes, and 4-[(R)-1' formylethyl]azetidin-2-one derivatives Takasago International Corporation (JP) 1994-09-14 EP disclosed