SCHEMBL9561530

SCHEMBL9561530

CCOc1c(F)cc(C(Cl)(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.39
FFAR1 O14842 6/20 0.36
FFAR4 Q5NUL3 2/20 0.36
MAPK1 P28482 1/20 0.35
LTA4H P09960 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ADRA2A P08913 1/20 0.34
CNR1 P21554 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL9561537 1.00 CETP (0.39) CETPFFAR1FFAR4MAPK1LTA4H
SCHEMBL9561663 0.93 ALDH1A1 (0.39) CETPFFAR1FFAR4MAPK1ALDH1A1
SCHEMBL9561658 0.93 ALDH1A1 (0.39) CETPFFAR1FFAR4MAPK1ALDH1A1
SCHEMBL9560723 0.90 FFAR1 (0.39) CETPFFAR1FFAR4MAPK1TDP1
SCHEMBL9560713 0.89 LTA4H (0.46) CETPFFAR1FFAR4MAPK1LTA4H
SCHEMBL9637906 0.88 L3MBTL1 (0.33) FFAR1LTA4HLMNAATML3MBTL1
SCHEMBL9637902 0.88 L3MBTL1 (0.33) FFAR1LTA4HLMNAATML3MBTL1
SCHEMBL9561335 0.86 CETP (0.41) CETPFFAR1FFAR4MAPK1
SCHEMBL9561343 0.86 CETP (0.41) CETPFFAR1FFAR4MAPK1
SCHEMBL9560874 0.84 ALDH1A1 (0.38) CETPFFAR1MAPK1ALDH1A1LMNA

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 3 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
EP-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 EP disclosed