SCHEMBL6955892

SCHEMBL6955892

COC(=O)/C(=C\c1cccc(F)c1)C(C)=O

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 3/20 0.49
MAPT P10636 2/20 0.48
AKR1C2 P52895 1/20 0.47
PTGS1 P23219 1/20 0.47
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL9383562 1.00 GLO1 (0.49) GLO1MAPTAKR1C2PTGS1GAA
SCHEMBL6954032 0.84 MAPT (0.49) GLO1MAPTGAATDP1HPGD
SCHEMBL31634795 0.84 MAPT (0.49) GLO1MAPTGAATDP1HPGD
SCHEMBL6954037 0.84 MAPT (0.49) GLO1MAPTGAATDP1HPGD
SCHEMBL15026456 0.84 MAPT (0.45) GLO1MAPTAKR1C2PTGS1GAA
SCHEMBL16285261 0.84 GLO1 (0.65) GLO1MAPTPTGS1HPGD
SCHEMBL10755317 0.82 MEN1 (0.54) MAPTGAATDP1HPGD
SCHEMBL6960584 0.82 GLO1 (0.46) GLO1MAPTGAATDP1HPGD
SCHEMBL6960592 0.82 GLO1 (0.46) GLO1MAPTGAATDP1HPGD
SCHEMBL10353152 0.82 MEN1 (0.54) MAPTGAATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed
US-4707486-A Diaryl piperidine containing esters of 1,4-dihydropyridines and coronary therapeutic use BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-11-17 US disclosed