SCHEMBL9804404

SCHEMBL9804404

CCOc1ccc(C(=CCCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.40
FFAR1 O14842 3/20 0.38
FFAR4 Q5NUL3 1/20 0.38
F10 P00742 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
BRD4 O60885 3/20 0.37
PPARD Q03181 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPK14 Q16539 1/20 0.35
CALM1 P0DP23 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL9804397 1.00 CETP (0.40) CETPFFAR1FFAR4F10F7
SCHEMBL9804245 0.89 CETP (0.42) CETPFFAR1FFAR4F10F7
SCHEMBL9804247 0.89 CETP (0.42) CETPFFAR1FFAR4F10F7
SCHEMBL9804345 0.87 LTA4H (0.46) CETPFFAR1FFAR4F10F7
SCHEMBL9804448 0.87 LTA4H (0.46) CETPFFAR1FFAR4F10F7
SCHEMBL9804338 0.87 LTA4H (0.46) CETPFFAR1FFAR4F10F7
SCHEMBL9156366 0.82 MAPK1 (0.40) CETPFFAR1FFAR4F10F7
SCHEMBL9156361 0.82 MAPK1 (0.40) CETPFFAR1FFAR4F10F7
SCHEMBL9804320 0.82 KDM4E (0.48) CETPHDAC8MAPK14LPAR1LPAR5
SCHEMBL9804325 0.82 KDM4E (0.48) CETPHDAC8MAPK14LPAR1LPAR5

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