SCHEMBL9804245

SCHEMBL9804245

CCOc1c(F)cc(/C(=C\CCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.42
FFAR1 O14842 5/20 0.38
FFAR4 Q5NUL3 2/20 0.38
MAPK14 Q16539 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
P2RX3 P56373 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LTA4H P09960 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FDFT1 P37268 1/20 0.35

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
SCHEMBL9804247 1.00 CETP (0.42) CETPFFAR1FFAR4MAPK14CHRM2
SCHEMBL9804404 0.89 CETP (0.40) CETPFFAR1FFAR4MAPK14CHRM2
SCHEMBL9804397 0.89 CETP (0.40) CETPFFAR1FFAR4MAPK14CHRM2
SCHEMBL9804338 0.87 LTA4H (0.46) CETPFFAR1FFAR4MAPK14CHRM2
SCHEMBL9804345 0.87 LTA4H (0.46) CETPFFAR1FFAR4MAPK14CHRM2
SCHEMBL9804448 0.87 LTA4H (0.46) CETPFFAR1FFAR4MAPK14CHRM2
SCHEMBL7932267 0.84 AKR1C3 (0.42) CETPFFAR1FFAR4MAPK14KDM4E
SCHEMBL7932271 0.84 AKR1C3 (0.42) CETPFFAR1FFAR4MAPK14KDM4E
SCHEMBL9561674 0.83 CETP (0.42) CETPFFAR1FFAR4MAPK14TSHR
SCHEMBL9561670 0.83 CETP (0.42) CETPFFAR1FFAR4MAPK14TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
EP-0390228-A2 Chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-03 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed