SCHEMBL9804355

SCHEMBL9804355

CCOc1ccc(/C(=C\C=C/c2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.40
LTA4H P09960 1/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAOB P27338 4/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAOA P21397 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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 1.00 RELA (0.40) RELALTA4HMAPTLMNAKDM4E
SCHEMBL9804250 0.90 TUBB1 (0.37) RELALTA4HMAPTLMNAKDM4E
SCHEMBL9804254 0.90 TUBB1 (0.37) RELALTA4HMAPTLMNAKDM4E
SCHEMBL9494663 0.87 PARP10 (0.36) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL9494665 0.87 PARP10 (0.36) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL9804249 0.83 RELA (0.39) RELAMAPTLMNAKDM4EMAOB
SCHEMBL9804536 0.83 RELA (0.39) RELAMAPTLMNAKDM4EMAOB
SCHEMBL9491929 0.81 PARP10 (0.34) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL9491927 0.81 PARP10 (0.34) KMT2ANPC1RAB9AMEN1GAA
SCHEMBL9493140 0.80 LTA4H (0.44) RELALTA4HMAPTLMNAKDM4E

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