SCHEMBL9804405

SCHEMBL9804405

Fc1ccc(C/C=C\C=C(/c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GRIN2B Q13224 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.34
MAPK14 Q16539 1/20 0.34
PLA2G4A P47712 2/20 0.33
EPHX1 P07099 1/20 0.33
PLA2G1B P04054 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
MPO P05164 1/20 0.32

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
SCHEMBL9804408 1.00 SLC6A4 (0.38) SLC6A4CYP11B1CYP11B2GRIN2BTRPV1
SCHEMBL9804632 0.85 GRIN2B (0.38) SLC6A4CYP11B1CYP11B2GRIN2BTRPV1
SCHEMBL9804641 0.85 GRIN2B (0.38) SLC6A4CYP11B1CYP11B2GRIN2BTRPV1
SCHEMBL9804536 0.73 RELA (0.39) MAPTSMN1; SMN2
SCHEMBL9804249 0.73 RELA (0.39) MAPTSMN1; SMN2
SCHEMBL10446195 0.71 HTR2A (0.38)
SCHEMBL10446197 0.71 HTR2A (0.38)
SCHEMBL9494665 0.68 PARP10 (0.36) SLC6A4GRIN2BTRPV1MAPK14
SCHEMBL9494663 0.68 PARP10 (0.36) SLC6A4GRIN2BTRPV1MAPK14
SCHEMBL16770891 0.66 SLC6A4 (0.58) SLC6A4CYP11B1CYP11B2GRIN2BMRGPRX4

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-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed