SCHEMBL7934937

SCHEMBL7934937

CCOc1ccc(C(CCCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.43
FDFT1 P37268 14/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL9804424 0.88 CETP (0.44) CETPFDFT1
SCHEMBL7931627 0.87 CETP (0.49) CETPFDFT1FFAR1
SCHEMBL9560358 0.84 CETP (0.43) CETPMEN1KMT2ANPSR1FFAR1
SCHEMBL9804456 0.82 FDFT1 (0.54) CETPFDFT1
SCHEMBL7930475 0.81 FDFT1 (0.52) CETPFDFT1
SCHEMBL9804359 0.81 KDM4E (0.50) CETPFDFT1
SCHEMBL9496411 0.80 LTA4H (0.47) CETPFDFT1FFAR1
SCHEMBL407786 0.80 LTA4H (0.41) CETPFDFT1MEN1KMT2ANPSR1
SCHEMBL9804660 0.79 CETP (0.44) CETPFDFT1
SCHEMBL9804703 0.79 LTA4H (0.46) CETPFDFT1FFAR1FFAR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37087-E1 1-(4-ETHOXYPHENYL)-4-(4-FLUORO-3-PHENOXYPHENYL)-1 -TRIFLUOROMETHYLBUTANE OR 1-(4-ETHOXY-3-FLUOROPHENYL)-4-(3-PHENOXYPHENYL)-1-TRIFLUOROMETHYLBUTANE, FOR EXAMPLE; COMBATS INSECTS AND MITES SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-06 US claimed
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