SCHEMBL9804641

SCHEMBL9804641

Fc1ccc(C=CC=C(c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.38
TRPV1 Q8NER1 2/20 0.38
SLC6A4 P31645 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
BACE1 P56817 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MAPK14 Q16539 1/20 0.34
ESR1 P03372 2/20 0.34
PLA2G1B P04054 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 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
SCHEMBL9804632 1.00 GRIN2B (0.38) GRIN2BTRPV1SLC6A4CYP11B1CYP11B2
SCHEMBL9804249 0.88 RELA (0.39) MAPTSMN1; SMN2
SCHEMBL9804536 0.88 RELA (0.39) MAPTSMN1; SMN2
SCHEMBL9804405 0.85 SLC6A4 (0.38) GRIN2BTRPV1SLC6A4CYP11B1CYP11B2
SCHEMBL9804408 0.85 SLC6A4 (0.38) GRIN2BTRPV1SLC6A4CYP11B1CYP11B2
SCHEMBL9494663 0.81 PARP10 (0.36) GRIN2BTRPV1SLC6A4MAPK14
SCHEMBL9494665 0.81 PARP10 (0.36) GRIN2BTRPV1SLC6A4MAPK14
SCHEMBL9492708 0.76 MAPK14 (0.42) GRIN2BMAPK14
SCHEMBL9492710 0.76 MAPK14 (0.42) GRIN2BMAPK14
SCHEMBL9491929 0.76 PARP10 (0.34) GRIN2BTRPV1SLC6A4MAPK14

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