SCHEMBL9560514

SCHEMBL9560514

CCOc1ccc(C(F)(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.41
CACNA1C Q13936 1/20 0.37
KIF11 P52732 1/20 0.35
FFAR1 O14842 3/20 0.34
PPARD Q03181 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PPARG P37231 2/20 0.34
KAT6A Q92794 1/20 0.34
ALOX5 P09917 1/20 0.34
PSEN1 P49768 1/20 0.34
MAPK1 P28482 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL7929135 0.89 MAPT (0.41) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9558590 0.88 LTA4H (0.43) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9560512 0.88 LMNA (0.40) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9560321 0.88 MAPT (0.40) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9560951 0.87 L3MBTL1 (0.35) LMNAATML3MBTL1FFAR1SLC6A4
SCHEMBL9560700 0.87 MAPT (0.39) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9561247 0.86 SMN1; SMN2 (0.34) SLC6A4TACR1SMN1; SMN2
SCHEMBL10836811 0.85 LTA4H (0.41) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL9560443 0.85 LTA4H (0.48) MAPTLMNAATML3MBTL1LTA4H
SCHEMBL10836181 0.84 LTA4H (0.40) MAPTLMNAATML3MBTL1LTA4H

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