SCHEMBL9804232

SCHEMBL9804232

Fc1ccc(/C=C\C=C(/c2ccc(OC(F)(F)F)cc2)C(F)F)cc1Oc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
MAPK14 Q16539 1/20 0.35
CETP P11597 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
FAAH O00519 1/20 0.32
EPHX2 P34913 1/20 0.32
GRIN2B Q13224 1/20 0.32
SCN9A Q15858 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
SCHEMBL9804217 1.00 PARP10 (0.35) PARP10SLC6A2SLC6A4MAPK14CETP
SCHEMBL9494663 0.86 PARP10 (0.36) PARP10SLC6A2SLC6A4MAPK14SLC6A3
SCHEMBL9494665 0.86 PARP10 (0.36) PARP10SLC6A2SLC6A4MAPK14SLC6A3
SCHEMBL9495144 0.86 MAPK14 (0.41) MAPK14CETPMEN1NPC1RAB9A
SCHEMBL9495139 0.86 MAPK14 (0.41) MAPK14CETPMEN1NPC1RAB9A
SCHEMBL9491927 0.84 PARP10 (0.34) PARP10SLC6A2SLC6A4MAPK14SLC6A3
SCHEMBL9491929 0.84 PARP10 (0.34) PARP10SLC6A2SLC6A4MAPK14SLC6A3
SCHEMBL10466635 0.83 FFAR4 (0.34) PARP10SLC6A2SLC6A4MAPK14
SCHEMBL10466636 0.83 FFAR4 (0.34) PARP10SLC6A2SLC6A4MAPK14
SCHEMBL9804277 0.78 LTA4H (0.39) SLC6A2SLC6A4MAPK14CETPSLC6A3

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 claimed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed