SCHEMBL9561550

SCHEMBL9561550

CCOc1c(F)cc(C(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CETP P11597 8/20 0.38
FFAR1 O14842 5/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 1/20 0.34
FDFT1 P37268 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
UGCG Q16739 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
SCHEMBL9636928 1.00 ALDH1A1 (0.39) ALDH1A1CETPFFAR1PPARGPPARA
SCHEMBL9561317 0.92 CETP (0.44) CETPFFAR1FFAR4
SCHEMBL9561404 0.92 CETP (0.44) CETPFFAR1FFAR4
SCHEMBL29370536 0.89 FFAR1 (0.44) ALDH1A1CETPFFAR1PPARGPPARA
SCHEMBL118655 0.89 FFAR1 (0.44) ALDH1A1CETPFFAR1PPARGPPARA
SCHEMBL9862593 0.89 FFAR1 (0.44) ALDH1A1CETPFFAR1PPARGPPARA
SCHEMBL9560714 0.89 ALDH1A1 (0.38) ALDH1A1CETPFFAR1PPARGPPARA
SCHEMBL9560890 0.85 CETP (0.44) ALDH1A1CETPFFAR1PPARGPPARA
SCHEMBL9570809 0.84 CETP (0.42) ALDH1A1CETPFFAR1PPARGPPARA
SCHEMBL9560487 0.83 PPARG (0.47) ALDH1A1CETPFFAR1PPARGPPARA

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 2 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 claimed
EP-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed