SCHEMBL9804334

SCHEMBL9804334

CCOc1ccc(/C(=C\C=O)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.47
MAOB P27338 3/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
NPC1 O15118 3/20 0.45
PLK1 P53350 1/20 0.45
NQO1 P15559 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
PLA2G4B P0C869 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOA P21397 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9804340 1.00 PARP10 (0.47) PARP10MAOBCYP1A1CYP1B1NPC1
SCHEMBL9862696 0.81 NQO1 (0.47) PARP10MAOBCYP1A1CYP1B1NPC1
SCHEMBL9862695 0.81 NQO1 (0.47) PARP10MAOBCYP1A1CYP1B1NPC1
SCHEMBL9862412 0.81 NQO1 (0.47) PARP10MAOBCYP1A1CYP1B1NPC1
SCHEMBL9561443 0.81 NQO1 (0.47) PARP10MAOBCYP1A1CYP1B1NPC1
SCHEMBL9862470 0.79 NQO1 (0.45) PARP10MAOBCYP1A1CYP1B1NPC1
SCHEMBL9862617 0.79 NQO1 (0.45) PARP10MAOBCYP1A1CYP1B1NPC1
SCHEMBL9804216 0.78 PLK1 (0.49) PARP10MAOBCYP1A1CYP1B1NPC1
SCHEMBL9804223 0.78 PLK1 (0.49) PARP10MAOBCYP1A1CYP1B1NPC1
SCHEMBL8444552 0.75 PARP10 (0.59) PARP10MAOBCYP1A1CYP1B1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1019109-B The insect-killing composition that contains diphenyl ether derivatives pesticide compound ICI PLC (GB) 1992-11-18 CN disclosed
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