SCHEMBL9560872

SCHEMBL9560872

CCOc1ccc(C(COCc2cccc(Oc3ccc(F)cc3F)c2)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLA2G1B P04054 1/20 0.39
GAA P10253 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
FFAR1 O14842 7/20 0.39
PPARD Q03181 4/20 0.39
BRD4 O60885 3/20 0.38
POLB P06746 1/20 0.36
CETP P11597 1/20 0.36
AR P10275 1/20 0.36
PPARG P37231 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FAAH O00519 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL9570568 0.89 FFAR1 (0.44) LMNAMAPTKDM4EALDH1A1PLA2G1B
SCHEMBL9570775 0.87 CACNA1C (0.40) CACNA1CLMNAMAPTKDM4EALDH1A1
SCHEMBL9570772 0.86 FFAR1 (0.41) FFAR1PPARDCETP
SCHEMBL409247 0.84 FFAR1 (0.51) FFAR1CETP
SCHEMBL9561406 0.84 FFAR1 (0.51) FFAR1CETP
SCHEMBL9560358 0.83 CETP (0.43) FFAR1PPARDBRD4CETP
SCHEMBL9570818 0.83 FFAR1 (0.44) FFAR1CETPMAOB
SCHEMBL9570819 0.83 FFAR1 (0.44) KDM4EALDH1A1FFAR1CETPMAOB
SCHEMBL9560714 0.82 ALDH1A1 (0.38) LMNAALDH1A1FFAR1PPARDBRD4
SCHEMBL9570798 0.82 PPARA (0.41) FFAR1PPARDCETPPPARG

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