SCHEMBL9804536

SCHEMBL9804536

CCOc1ccc(/C(=C\C=C/c2ccc(F)c(Cc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAOB P27338 6/20 0.38
MAOA P21397 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
LCK P06239 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9804249 1.00 RELA (0.39) RELASLC5A1SLC5A2MAPTNPC1
SCHEMBL9804632 0.88 GRIN2B (0.38) MAPTSMN1; SMN2
SCHEMBL9804641 0.88 GRIN2B (0.38) MAPTSMN1; SMN2
SCHEMBL9804355 0.83 RELA (0.40) RELAMAPTNPC1RAB9AKMT2A
SCHEMBL9804361 0.83 RELA (0.40) RELAMAPTNPC1RAB9AKMT2A
SCHEMBL9804254 0.73 TUBB1 (0.37) RELAMAPTNPC1RAB9AKMT2A
SCHEMBL9804250 0.73 TUBB1 (0.37) RELAMAPTNPC1RAB9AKMT2A
SCHEMBL9804405 0.73 SLC6A4 (0.38) MAPTSMN1; SMN2
SCHEMBL9804408 0.73 SLC6A4 (0.38) MAPTSMN1; SMN2
SCHEMBL9493140 0.73 LTA4H (0.44) RELAMAPTNPC1RAB9AKMT2A

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