SCHEMBL9561103

SCHEMBL9561103

FC(F)(F)C(Cl)(COCc1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.41
FAAH O00519 1/20 0.40
MAOA P21397 4/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL9560835 0.93 MAOB (0.45) MAOBFAAHMAOALMNAHTT
SCHEMBL9561217 0.86 MAOB (0.41) MAOBFAAHMAOALMNAHTT
SCHEMBL9558346 0.84 MAOB (0.45) MAOBFAAHMAOALMNAHTT
SCHEMBL10864723 0.82 MAOB (0.41) MAOBFAAHMAOALMNAHTT
SCHEMBL9560352 0.81 FFAR1 (0.42) FAAHLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL9560369 0.81 MAOB (0.44) MAOBFAAHMAOALMNAHTT
SCHEMBL10850171 0.80 MAOB (0.42) MAOBFAAHMAOALMNAHTT
SCHEMBL9560366 0.80 KDM4E (0.48) MAOBFAAHLMNAHTTALDH1A1
SCHEMBL9560464 0.80 MAPK14 (0.47) MAOB
SCHEMBL9560419 0.79 KDM4E (0.39) FAAHLMNAHTTALDH1A1SMN1; SMN2

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