SCHEMBL9804642

SCHEMBL9804642

CCOc1ccc(/C(=C\CCc2cccc(Oc3ccccc3)c2)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.44
LTA4H P09960 1/20 0.44
FFAR1 O14842 6/20 0.39
FFAR4 Q5NUL3 2/20 0.39
MAPK14 Q16539 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
FABP1 P07148 1/20 0.37
CHRM2 P08172 1/20 0.36

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
SCHEMBL9804649 1.00 CETP (0.44) CETPLTA4HFFAR1FFAR4MAPK14
SCHEMBL9804338 0.92 LTA4H (0.46) CETPLTA4HFFAR1FFAR4MAPK14
SCHEMBL9804345 0.92 LTA4H (0.46) CETPLTA4HFFAR1FFAR4MAPK14
SCHEMBL9804448 0.92 LTA4H (0.46) CETPLTA4HFFAR1FFAR4MAPK14
SCHEMBL9804325 0.81 KDM4E (0.48) CETPLTA4HMAPK14SMN1; SMN2NPC1
SCHEMBL9804320 0.81 KDM4E (0.48) CETPLTA4HMAPK14SMN1; SMN2NPC1
SCHEMBL7932271 0.80 AKR1C3 (0.42) CETPFFAR1FFAR4MAPK14LMNA
SCHEMBL7932267 0.80 AKR1C3 (0.42) CETPFFAR1FFAR4MAPK14LMNA
SCHEMBL9804245 0.79 CETP (0.42) CETPLTA4HFFAR1FFAR4MAPK14
SCHEMBL9804247 0.79 CETP (0.42) CETPLTA4HFFAR1FFAR4MAPK14

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