SCHEMBL9804442

SCHEMBL9804442

CCOc1ccc(C(C/C=C\c2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
EPOR P19235 6/20 0.44
RELA Q04206 1/20 0.44
ALOX5 P09917 3/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
ALOX5AP P20292 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CETP P11597 1/20 0.41
FFAR1 O14842 1/20 0.39
LCK P06239 1/20 0.38
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PPARG P37231 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
SCHEMBL9804446 1.00 LTA4H (0.47) LTA4HEPORRELAALOX5PTGS1
SCHEMBL9804433 0.85 RELA (0.40) LTA4HRELAPTGS2KDM4ECETP
SCHEMBL9804436 0.85 RELA (0.40) LTA4HRELAPTGS2KDM4ECETP
SCHEMBL9804535 0.82 LTA4H (0.41) LTA4HRELAKDM4EALDH1A1SMN1; SMN2
SCHEMBL9804272 0.78 LTA4H (0.42) LTA4HRELASMN1; SMN2CETPLCK
SCHEMBL9804305 0.78 LTA4H (0.45) LTA4HALDH1A1SMN1; SMN2CETPFFAR1
SCHEMBL9804310 0.78 LTA4H (0.45) LTA4HALDH1A1SMN1; SMN2CETPFFAR1
SCHEMBL9804455 0.76 LTA4H (0.42) LTA4HKDM4EALDH1A1SMN1; SMN2CETP
SCHEMBL9804464 0.76 LTA4H (0.42) LTA4HKDM4EALDH1A1SMN1; SMN2CETP
SCHEMBL9804659 0.75 LTA4H (0.49) LTA4HALOX5PTGS1ALDH1A1CETP

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
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
EP-0224078-A1 Thienyl sulfonyl guanidine derivatives BAYER AG (DE) 1987-06-03 EP disclosed