SCHEMBL9560723

SCHEMBL9560723

CCOc1ccc(C(Cl)(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.39
PPARD Q03181 5/20 0.39
CETP P11597 2/20 0.38
FFAR4 Q5NUL3 1/20 0.36
BRD4 O60885 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 2/20 0.34
ALOX5 P09917 1/20 0.34
PSEN1 P49768 1/20 0.34
PPARA Q07869 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9560874 0.93 ALDH1A1 (0.38) FFAR1PPARDCETPBRD4L3MBTL1
SCHEMBL9561537 0.90 CETP (0.39) FFAR1CETPFFAR4L3MBTL1MAPK1
SCHEMBL9561530 0.90 CETP (0.39) FFAR1CETPFFAR4L3MBTL1MAPK1
SCHEMBL9560713 0.87 LTA4H (0.46) FFAR1CETPFFAR4L3MBTL1MAPK1
SCHEMBL9560382 0.86 FFAR1 (0.41) FFAR1PPARDCETPFFAR4BRD4
SCHEMBL9561663 0.83 ALDH1A1 (0.39) FFAR1CETPFFAR4PPARGPPARA
SCHEMBL9561658 0.83 ALDH1A1 (0.39) FFAR1CETPFFAR4PPARGPPARA
SCHEMBL9560797 0.81 FFAR1 (0.38) FFAR1PPARDCETPBRD4L3MBTL1
SCHEMBL9560352 0.81 FFAR1 (0.42) FFAR1CETPFFAR4L3MBTL1KDM4E
SCHEMBL9560848 0.81 ALDH1A1 (0.42) FFAR1CETPFFAR4L3MBTL1PPARG

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
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed