SCHEMBL9804252

SCHEMBL9804252

CCOc1c(F)cc(C(CCCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.35
CETP P11597 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LTA4H P09960 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TTR P02766 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31

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
SCHEMBL407786 0.90 LTA4H (0.41) FDFT1CETPPPARGPPARDPPARA
SCHEMBL9804424 0.88 CETP (0.44) FDFT1CETP
SCHEMBL9561522 0.84 FFAR1 (0.33) CETPPPARGPPARDPPARALTA4H
SCHEMBL9561294 0.84 FFAR1 (0.33) CETPPPARGPPARDPPARALTA4H
SCHEMBL7934903 0.83 TTR (0.41) FDFT1TTR
SCHEMBL9493734 0.81 CETP (0.40) FDFT1CETPLTA4HLPAR1LPAR5
SCHEMBL7929110 0.81 FDFT1 (0.37) FDFT1LPAR1LPAR5
SCHEMBL7932383 0.81 FDFT1 (0.37) FDFT1CETPPPARGPPARDPPARA
SCHEMBL9629106 0.80 FDFT1 (0.35) FDFT1TTRLPAR1LPAR5
SCHEMBL7922569 0.80 FDFT1 (0.40) FDFT1PPARGPPARASIGMAR1

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