SCHEMBL8848587

SCHEMBL8848587

OC(c1cccc(Oc2ccccc2)n1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
F10 P00742 4/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.39
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
SCN9A Q15858 7/20 0.37
MAPT P10636 1/20 0.36
MAP4K4 O95819 1/20 0.36
CETP P11597 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL10720414 1.00 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL10548851 1.00 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL10720586 0.88 SCN9A (0.45) F2F10PRSS1PRSS2PRSS3
SCHEMBL11360231 0.82 F2 (0.46) F2F10PRSS1PRSS2PRSS3
SCHEMBL10548446 0.79 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL9270503 0.79 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL9818071 0.79 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL8972394 0.76 F2 (0.43) F2F10PRSS1PRSS2PRSS3
SCHEMBL2521152 0.75 LTA4H (0.58) F2F10PRSS1PRSS2PRSS3
SCHEMBL10457415 0.75 F2 (0.42) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4694013-A Insecticidal and acaricidal phenoxypyrdinyl esters and intermediates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-15 US 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
EP-0623103-B1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES HOECHST SCHERING AGREVO GMBH (DE) 1997-09-03 EP disclosed
US-5608062-A Process for preparing trifluoromethyl ketones HOECHST SCHERING AGREVO GMBH (DE) 1997-03-04 US disclosed
US-5592434-A Synchronous semiconductor memory device MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1997-01-07 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
US-4833163-A INSECTICIDES, NEMATOCIDES, MITICIDES ROUSSEL UCLAF (FR) 1989-05-23 US 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