SCHEMBL9560835

SCHEMBL9560835

FC(F)(F)C(Cl)(COCc1cccc(Oc2ccc(Cl)cc2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.45
MAOA P21397 5/20 0.45
ALDH1A1 P00352 2/20 0.37
FAAH O00519 2/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
CETP P11597 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
HTT P42858 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 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
SCHEMBL9561103 0.93 MAOB (0.41) MAOBMAOAALDH1A1FAAHMAPK1
SCHEMBL9560369 0.88 MAOB (0.44) MAOBMAOAALDH1A1FAAHMAPK1
SCHEMBL9560424 0.82 MAPK14 (0.40) MAOBALDH1A1LMNACETPPPARG
SCHEMBL9560848 0.80 ALDH1A1 (0.42) MAOBALDH1A1MAPK1LMNACETP
SCHEMBL9560778 0.80 ALDH1A1 (0.39) ALDH1A1LMNACETPPPARGPPARA
SCHEMBL9561217 0.79 MAOB (0.41) MAOBMAOAALDH1A1FAAHMAPK1
SCHEMBL9560874 0.77 ALDH1A1 (0.38) ALDH1A1MAPK1LMNACETPPPARG
SCHEMBL9558346 0.77 MAOB (0.45) MAOBMAOAALDH1A1FAAHMAPK1
SCHEMBL9561663 0.77 ALDH1A1 (0.39) MAOBALDH1A1MAPK1LMNACETP
SCHEMBL9561658 0.77 ALDH1A1 (0.39) MAOBALDH1A1MAPK1LMNACETP

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