SCHEMBL4554768

SCHEMBL4554768

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCS(=O)(=O)CCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.33
MAPK9 P45984 3/20 0.33
MAPK10 P53779 2/20 0.33
PLA2G4A P47712 1/20 0.32
MCHR1 Q99705 1/20 0.31
PIM1 P11309 2/20 0.31
HTR6 P50406 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
CLK2 P49760 1/20 0.31
MAP4K2 Q12851 1/20 0.31
MINK1 Q8N4C8 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MAP4K5 Q9Y4K4 1/20 0.31
PDE2A O00408 1/20 0.30
PHGDH O43175 3/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
RET P07949 1/20 0.30
PDGFRB P09619 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
SCHEMBL963189 0.84 MAPK8 (0.36) MAPK8MAPK9MAPK10MCHR1PIM1
SCHEMBL962752 0.84 PTGDR2 (0.31) PHGDHPPARGPPARAPTGDR2
SCHEMBL964535 0.82 OXER1 (0.33) PLA2G4APTGDR2
SCHEMBL968367 0.82 TP53 (0.35) MAPK8PLA2G4A
SCHEMBL965461 0.82 PTGDR2 (0.32) MAPK8MAPK9MAPK10PHGDHPTGDR2
SCHEMBL4554828 0.81 AGTR2 (0.38) PLA2G4APDE2APHGDHPPARG
SCHEMBL963060 0.81 TP53 (0.34) PLA2G4APHGDHPTGDR2
SCHEMBL4554130 0.81 MAPK8 (0.40) MAPK8MAPK9MAPK10PLA2G4AMCHR1
SCHEMBL4553883 0.80 SMN1; SMN2 (0.33) MAPK8MAPK9MAPK10PLA2G4APHGDH
SCHEMBL4570493 0.80 PHGDH (0.36) MAPK8MAPK9MAPK10PLA2G4APHGDH

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-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed