SCHEMBL7788933

SCHEMBL7788933

O=S(=O)(Oc1ccc2ccc3ccccc3c2c1-c1c(O)ccc2ccc3ccccc3c12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.37
ERN1 O75460 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HCRTR1 O43613 1/20 0.36
MAPT P10636 5/20 0.36
KMT2A Q03164 3/20 0.36
NSD2 O96028 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
ATM Q13315 1/20 0.35
RRM1 P23921 1/20 0.35
THRB P10828 3/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL7799372 0.92 MAPT (0.38) MAPTKMT2AKDM4EALDH1A1GAA
SCHEMBL9405037 0.88 HSP90AA1 (0.41) G6PDERN1HSP90AA1HSP90AB1HCRTR1
SCHEMBL7788925 0.83 MAPT (0.40) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL29560409 0.82 MAPT (0.49) MAPTKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL635407 0.82 MAPT (0.49) MAPTKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL7806778 0.80 KMT2A (0.36) KMT2A
SCHEMBL17080387 0.79 FABP1 (0.40) MAPTKMT2AKDM4EALDH1A1GAA
SCHEMBL23581680 0.78 MAPT (0.41) MAPTKMT2AALDH1A1L3MBTL1MEN1
SCHEMBL7197168 0.76 ERN1 (0.44) G6PDERN1HCRTR1MAPTKMT2A
SCHEMBL31338576 0.76 ALDH1A1 (0.39) MAPTKMT2AALDH1A1L3MBTL1MEN1

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-0731105-B1 Optically active tertiary phosphine compounds, transition metal complexes comprising the same as ligands and process for preparing optically active organic silicon compounds using said transition metal complexes SUMITOMO CHEMICAL CO (JP) 2001-12-05 EP disclosed
US-5621129-A Optically active tertiary phosphine compound, transition metal complex comprising the same as ligand and process for preparing optically active organic silicon compound using said transition metal complex SUMITOMO CHEMICAL CO., LTD. (JP) 1997-04-15 US disclosed
EP-0731105-A1 Optically active tertiary phosphine compounds, transition metal complexes comprising the same as ligands and process for preparing optically active organic silicon compounds using said transition metal complexes SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-09-11 EP disclosed