SCHEMBL6960592

SCHEMBL6960592

COC(=O)C(=Cc1cccc(Cl)c1)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPT P10636 2/20 0.44
FBP1 P09467 1/20 0.44
HPGD P15428 1/20 0.44
PTGS2 P35354 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
SCHEMBL6960584 1.00 GLO1 (0.46) GLO1GAATDP1CYP1A2CYP2C9
SCHEMBL11547520 0.87 GLO1 (0.57) GLO1GAATDP1CYP1A2CYP2C9
SCHEMBL6954032 0.84 MAPT (0.49) GLO1GAATDP1MAPTHPGD
SCHEMBL6954037 0.84 MAPT (0.49) GLO1GAATDP1MAPTHPGD
SCHEMBL31634795 0.84 MAPT (0.49) GLO1GAATDP1MAPTHPGD
SCHEMBL2424030 0.84 GLO1 (0.65) GLO1GAACYP1A2CYP2C9MAPT
SCHEMBL15026370 0.84 GLO1 (0.65) GLO1GAACYP1A2CYP2C9MAPT
SCHEMBL16285258 0.84 HPGD (0.46) GLO1GAATDP1CYP1A2CYP2C9
SCHEMBL2424031 0.84 GLO1 (0.65) GLO1GAACYP1A2CYP2C9MAPT
SCHEMBL4776452 0.83 CYP1A2 (0.45) GAACYP1A2CYP2C9MAPTFBP1

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-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-4822798-A Circulation-active 4-phenyl-6-substituted dihydropyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
US-4596805-A Pharmaceuticals ORTHO PHARMACEUTICAL CORPORATION (US) 1986-06-24 US disclosed