SCHEMBL9494665

SCHEMBL9494665

Fc1ccc(C=CC=C(c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.36
MAPK14 Q16539 1/20 0.35
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
FAAH O00519 1/20 0.33
EPHX2 P34913 1/20 0.33
GRIN2B Q13224 1/20 0.33
SCN9A Q15858 1/20 0.32
SRD5A2 P31213 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
SCHEMBL9494663 1.00 PARP10 (0.36) PARP10MAPK14SLC6A2SLC6A4SLC6A3
SCHEMBL9491927 0.94 PARP10 (0.34) PARP10MAPK14SLC6A2SLC6A4SLC6A3
SCHEMBL9491929 0.94 PARP10 (0.34) PARP10MAPK14SLC6A2SLC6A4SLC6A3
SCHEMBL9804361 0.87 RELA (0.40) MEN1NPC1GAARAB9AKMT2A
SCHEMBL9804355 0.87 RELA (0.40) MEN1NPC1GAARAB9AKMT2A
SCHEMBL9804232 0.86 PARP10 (0.35) PARP10MAPK14SLC6A2SLC6A4SLC6A3
SCHEMBL9804217 0.86 PARP10 (0.35) PARP10MAPK14SLC6A2SLC6A4SLC6A3
SCHEMBL9492710 0.84 MAPK14 (0.42) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL9492708 0.84 MAPK14 (0.42) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL10466636 0.84 FFAR4 (0.34) PARP10MAPK14SLC6A2SLC6A4

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 7 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
EP-0279531-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF INSECTICIDALLY ACTIVE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-10 EP disclosed
US-5081273-A PROCESS FOR THE PREPARATION OF INSECTICIDALLY ACTIVE DIPHENYL ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
US-4942264-A WITTIG REACTION FOLLOWED BY REDUCTION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-07-17 US disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0279531-A2 Process and intermediates for the preparation of insecticidally active compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-24 EP disclosed