SCHEMBL9804381

SCHEMBL9804381

Fc1ccc(/C(=C\CCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.41
MAPK14 Q16539 2/20 0.41
PTGS1 P23219 1/20 0.39
FDFT1 P37268 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 2/20 0.37
AKR1C3 P42330 1/20 0.37
LTA4H P09960 2/20 0.37
EPHX2 P34913 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL9804383 1.00 CETP (0.41) CETPMAPK14PTGS1FDFT1MEN1
SCHEMBL7932267 0.93 AKR1C3 (0.42) CETPMAPK14FDFT1FFAR1AKR1C3
SCHEMBL7932271 0.93 AKR1C3 (0.42) CETPMAPK14FDFT1FFAR1AKR1C3
SCHEMBL9804518 0.89 PPARG (0.44) CETPMAPK14FDFT1FFAR1
SCHEMBL9804470 0.89 MAPK14 (0.47) CETPMAPK14FDFT1MEN1KMT2A
SCHEMBL9804475 0.89 MAPK14 (0.47) CETPMAPK14FDFT1MEN1KMT2A
SCHEMBL9804369 0.89 PPARD (0.44) CETPMAPK14FDFT1FFAR1AKR1C3
SCHEMBL9804377 0.89 PPARD (0.44) CETPMAPK14FDFT1FFAR1AKR1C3
SCHEMBL9804529 0.89 PPARG (0.44) CETPMAPK14FDFT1FFAR1
SCHEMBL9804320 0.88 KDM4E (0.48) CETPMAPK14PTGS1LTA4HHDAC8

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