SCHEMBL9560358

SCHEMBL9560358

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.43
FFAR1 O14842 5/20 0.42
PPARD Q03181 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL9560714 0.92 ALDH1A1 (0.38) CETPFFAR1PPARDMRGPRX4BRD4
SCHEMBL9570756 0.89 CETP (0.42) CETPFFAR1PPARDMRGPRX4FFAR4
SCHEMBL9561404 0.88 CETP (0.44) CETPFFAR1FFAR4
SCHEMBL9561317 0.88 CETP (0.44) CETPFFAR1FFAR4
SCHEMBL9561406 0.87 FFAR1 (0.51) CETPFFAR1MRGPRX4FFAR4
SCHEMBL409247 0.87 FFAR1 (0.51) CETPFFAR1MRGPRX4FFAR4
SCHEMBL9570798 0.85 PPARA (0.41) CETPFFAR1PPARDMRGPRX4
SCHEMBL7934937 0.84 CETP (0.43) CETPFFAR1FFAR4MEN1KMT2A
SCHEMBL9570568 0.83 FFAR1 (0.44) CETPFFAR1MRGPRX4FFAR4MEN1
SCHEMBL9560872 0.83 CACNA1C (0.39) CETPFFAR1PPARDBRD4

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