SCHEMBL9682231

SCHEMBL9682231

FC(F)(F)[CH]c1cccc(Oc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.39
F10 P00742 4/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MAP4K4 O95819 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HSD17B14 Q9BPX1 1/20 0.37
BLM P54132 1/20 0.37
RAB9A P51151 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10720374 0.87 MEN1 (0.42) F2F10PRSS1PRSS2PRSS3
SCHEMBL2521152 0.78 LTA4H (0.58) F2F10PRSS1PRSS2PRSS3
SCHEMBL9198034 0.77 F2 (0.42) F2F10PRSS1PRSS2PRSS3
SCHEMBL9540409 0.77 LMNA (0.43) F2F10PRSS1PRSS2PRSS3
SCHEMBL8941674 0.74 F2 (0.46) F2F10PRSS1PRSS2PRSS3
SCHEMBL954527 0.74 LOXL2 (0.48) F2F10PRSS1PRSS2PRSS3
SCHEMBL15871857 0.74 LOXL2 (0.55) F2F10PRSS1PRSS2PRSS3
SCHEMBL10544524 0.73 F2 (0.39) F2F10PRSS1PRSS2PRSS3
SCHEMBL3367184 0.73 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL6316219 0.71 F2 (0.40) F2F10PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361694-A2 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-04 EP claimed
EP-0361695-A2 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-04 EP claimed
EP-0295839-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-21 EP claimed
EP-0223521-A2 Insecticidal and acaricidal phenoxypyridinyl esters and intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-27 EP claimed
US-5091416-A INSECTICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-25 US disclosed
US-5026727-A 1,1-Difluoro-2-alkyl-2-(4-trifluoromethoxy-phenyl)-3-(substituted benzyloxy) propane IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-25 US disclosed
US-5010200-A Insecticide intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-23 US disclosed
US-4962109-A MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-09 US disclosed
EP-0361694-A2 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-04 EP disclosed
EP-0361695-A2 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-04 EP disclosed
EP-0295839-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-21 EP disclosed
US-4694013-A Insecticidal and acaricidal phenoxypyrdinyl esters and intermediates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-15 US disclosed
EP-0223521-A2 Insecticidal and acaricidal phenoxypyridinyl esters and intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-27 EP disclosed