SCHEMBL9804313

SCHEMBL9804313

CCOc1ccc(C(CCCc2ccc(F)c(Cc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 2/20 0.40
SLC5A1 P13866 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
CNR2 P34972 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHFR P00374 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
FFAR1 O14842 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL9804440 0.84 SLC7A5 (0.41) CNR2
SCHEMBL10646572 0.84 SLC5A2 (0.39) SLC5A2SLC5A1SIGMAR1CNR2KMT2A
SCHEMBL10651447 0.84 SLC5A2 (0.39) SLC5A2SLC5A1SIGMAR1CNR2KMT2A
SCHEMBL9560920 0.83 SLC5A2 (0.40) SLC5A2SLC5A1CNR2KMT2AMEN1
SCHEMBL407786 0.83 LTA4H (0.41) SIGMAR1CNR2KMT2AMEN1L3MBTL1
SCHEMBL7931627 0.81 CETP (0.49) FFAR1
SCHEMBL10649169 0.76 SLC5A2 (0.39) SLC5A2SLC5A1SIGMAR1KMT2AMEN1
SCHEMBL7931623 0.75 KCNH2 (0.41) L3MBTL1MAPK1
SCHEMBL9560866 0.75 FFAR1 (0.41) SLC5A2SLC5A1DHFRFFAR1
SCHEMBL10651769 0.75 SLC5A2 (0.39) SLC5A2SLC5A1SIGMAR1KMT2ADHFR

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