SCHEMBL9560836

SCHEMBL9560836

CCOc1ccc(C(Cl)(COCc2ccc(F)c(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 3/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 3/20 0.36
CACNA1C Q13936 1/20 0.36
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9560321 0.93 MAPT (0.40) MAPTLMNAATML3MBTL1SLC6A4
SCHEMBL9560391 0.92 MAPT (0.39) MAPTLMNAATML3MBTL1SLC6A4
SCHEMBL10837041 0.87 MAPT (0.43) MAPTLMNAATML3MBTL1HTR2A
SCHEMBL9560787 0.87 L3MBTL1 (0.34) LMNAATML3MBTL1HTR2ASLC6A4
SCHEMBL9560339 0.87 MAPT (0.40) MAPTLMNAATML3MBTL1HTR2A
SCHEMBL9560848 0.84 ALDH1A1 (0.42) MAPTLMNAATML3MBTL1MAOB
SCHEMBL9637902 0.84 L3MBTL1 (0.33) MAPTLMNAATML3MBTL1MEN1
SCHEMBL9637906 0.84 L3MBTL1 (0.33) MAPTLMNAATML3MBTL1MEN1
SCHEMBL10835453 0.82 MAPT (0.44) MAPTLMNAATML3MBTL1SLC6A4
SCHEMBL9560804 0.82 TTR (0.39) LMNAL3MBTL1SMN1; SMN2ALDH1A1KDM4E

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