SCHEMBL5133472

SCHEMBL5133472

COC(=O)[C@@H](OS(=O)(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 4/20 0.43
CXCR2 P25025 1/20 0.43
KDM4E B2RXH2 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL27518141 1.00 KMT2A (0.51) KMT2AALDH1A1GAAMEN1CXCR2
SCHEMBL2488220 0.83 KMT2A (0.58) KMT2AALDH1A1GAAMEN1PTGS1
SCHEMBL2485143 0.83 KMT2A (0.58) KMT2AALDH1A1GAAMEN1PTGS1
SCHEMBL12022633 0.83 CXCR2 (0.42) KMT2AALDH1A1GAAMEN1CXCR2
SCHEMBL28690906 0.82 KMT2A (0.46) KMT2AALDH1A1GAAMEN1CXCR2
SCHEMBL29524587 0.82 KMT2A (0.46) KMT2AALDH1A1GAAMEN1CXCR2
SCHEMBL27627675 0.81 KMT2A (0.51) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL2961457 0.81 ALDH1A1 (0.53) KMT2AALDH1A1MEN1CXCR2LMNA
SCHEMBL5133280 0.80 CA12 (0.44) KMT2AALDH1A1MEN1LMNAL3MBTL1
SCHEMBL5555255 0.80 CA12 (0.44) KMT2AALDH1A1MEN1LMNAL3MBTL1

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-1940767-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-07-09 EP disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed