SCHEMBL6001797

SCHEMBL6001797

CCOC(=O)Oc1cc2cc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.38
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
PARG Q86W56 1/20 0.31
HK1 P19367 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 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
SCHEMBL6001985 0.91 PTGDR2 (0.36) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL6002331 0.85 MEN1 (0.42) CACNA1BALDH1A1MAPTHTTNPSR1
SCHEMBL6001840 0.83 CACNA1B (0.40) CACNA1BALDH1A1MAPTTP53TDP1
SCHEMBL6001804 0.78 L3MBTL1 (0.34)
SCHEMBL6001962 0.75 POLB (0.48) ALDH1A1MAPTHPGDHTTNPSR1
SCHEMBL6002334 0.72 SMN1; SMN2 (0.39) ALDH1A1MAPTHPGDGAAMEN1
SCHEMBL6002238 0.70 CACNA1B (0.40) CACNA1BALDH1A1KDM4EGAAMEN1
SCHEMBL6002281 0.69 CCR2 (0.41)
SCHEMBL6000254 0.67 MEN1 (0.41) CACNA1BALDH1A1MAPTKDM4EGAA
SCHEMBL6001790 0.66 CACNA1B (0.44) CACNA1BALDH1A1KDM4EGAAMEN1

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-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed