SCHEMBL7789317

SCHEMBL7789317

CCCCCCCCCCCc1ccc(F)c(-c2ccccc2-c2cccc(OCCCCCC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
PPARA Q07869 3/20 0.44
PPARG P37231 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PTPN11 Q06124 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR3 P46089 1/20 0.41
PDK2 Q15119 1/20 0.40
FAAH O00519 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP2D6 P10635 1/20 0.40
MCL1 Q07820 1/20 0.39
PLA2G4B P0C869 1/20 0.39
GGPS1 O95749 1/20 0.39
RARB P10826 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
SCHEMBL9224698 0.82 TSHR (0.49) TSHRPTPN11CYP1A2CYP19A1CYP2C9
SCHEMBL9227186 0.81 TSHR (0.47) TSHRPTPN11CYP1A2CYP19A1CYP2C9
SCHEMBL5057431 0.80 TSHR (0.58) TSHRPTPN11CYP1A2CYP19A1CYP2C9
SCHEMBL29207409 0.79 LTA4H (0.56) TSHRPTPN11CYP1A2CYP19A1CYP2C9
SCHEMBL7056375 0.78 RARB (0.50) CNR2PTPN11GPR3PDK2MCL1
SCHEMBL4605914 0.78 PPARA (0.51) PPARAPPARGCNR1CNR2PTPN11
SCHEMBL7735955 0.77 RARB (0.53) CNR2PTPN11MCL1RARB
SCHEMBL9226161 0.77 CYP1A2 (0.50) TSHRPTPN11CYP1A2CYP19A1CYP2C9
SCHEMBL7061692 0.76 RARB (0.46) PTPN11GPR3PDK2FAAHPLA2G4B
SCHEMBL17509796 0.76 PPARA (0.68) TSHRPPARAPPARGCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO disclosed