SCHEMBL9560339

SCHEMBL9560339

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CACNA1G O43497 1/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
FFAR1 O14842 4/20 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
SCHEMBL9560512 0.92 LMNA (0.40) MAPTLMNAATML3MBTL1CACNA1C
SCHEMBL9560474 0.91 MAPT (0.39) MAPTLMNAATML3MBTL1MAOA
SCHEMBL9560709 0.88 L3MBTL1 (0.36) LMNAATML3MBTL1HTR2ASLC6A4
SCHEMBL9560836 0.87 MAPT (0.41) MAPTLMNAATML3MBTL1MAOA
SCHEMBL10837041 0.86 MAPT (0.43) MAPTLMNAATML3MBTL1MAOA
SCHEMBL9560497 0.85 ALDH1A1 (0.41) MAPTLMNAATML3MBTL1SMN1; SMN2
SCHEMBL9561491 0.83 ALOX5 (0.33) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9561496 0.83 ALOX5 (0.33) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL10835453 0.82 MAPT (0.44) MAPTLMNAATML3MBTL1MAOA
SCHEMBL9560878 0.82 LMNA (0.41) MAPTLMNAL3MBTL1SMN1; SMN2ALDH1A1

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