SCHEMBL9804495

SCHEMBL9804495

CCOc1ccc(C(=CC=Cc2cccc(Oc3ccccc3)n2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F2 P00734 3/20 0.36
F10 P00742 3/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
RELA Q04206 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MAPK8 P45983 1/20 0.33

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
SCHEMBL9804361 0.75 RELA (0.40) LTA4HMAOBMAOAMAPK1LMNA
SCHEMBL9804355 0.75 RELA (0.40) LTA4HMAOBMAOAMAPK1LMNA
SCHEMBL9804535 0.74 LTA4H (0.41) LTA4HMAPK1L3MBTL1RELANPC1
SCHEMBL9493140 0.74 LTA4H (0.44) LTA4HMAOBMAOAMAPK1LMNA
SCHEMBL9493136 0.74 LTA4H (0.44) LTA4HMAOBMAOAMAPK1LMNA
SCHEMBL9804340 0.68 PARP10 (0.47) MAOBMAOAL3MBTL1PRSS1PRSS2
SCHEMBL9804334 0.68 PARP10 (0.47) MAOBMAOAL3MBTL1PRSS1PRSS2
SCHEMBL9804536 0.68 RELA (0.39) MAOBMAOAMAPK1LMNAL3MBTL1
SCHEMBL9804249 0.68 RELA (0.39) MAOBMAOAMAPK1LMNAL3MBTL1
SCHEMBL9804345 0.67 LTA4H (0.46) LTA4HMAPK1LMNAL3MBTL1F10

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 4 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