SCHEMBL9714624

SCHEMBL9714624

CCOc1ccc(C(F)(CSCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
CETP P11597 1/20 0.44
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 4/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL9714215 0.87 LTA4H (0.45) LTA4HCETPMAPK1LMNAMAPT
SCHEMBL9714388 0.87 LTA4H (0.45) LTA4HCETPMAPK1LMNAMAPT
SCHEMBL10865859 0.83 LTA4H (0.45) LTA4HCETPMAPK1LMNAMAPT
SCHEMBL9560443 0.81 LTA4H (0.48) LTA4HCETPMAPK1LMNAMAPT
SCHEMBL9714669 0.80 LTA4H (0.41) LTA4HMAPK1LMNAMAPTATM
SCHEMBL9714189 0.78 CETP (0.48) LTA4HCETPFFAR1CYP1A2CYP3A4
SCHEMBL10554911 0.77 LTA4H (0.51) LTA4HCETPFFAR1CYP1A2CYP3A4
SCHEMBL27691533 0.75 LTA4H (0.40) LTA4HCETPMAPK1LMNAMAPT
SCHEMBL9561260 0.74 LTA4H (0.48) LTA4HCETPMAPK1LMNAMAPT
SCHEMBL9560806 0.74 ALDH1A1 (0.42) LTA4HCETPMAPK1LMNAMAPT

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
EP-0273549-B1 INSECTICIDAL THIOETHERS AND DERIVATIVES THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-02 EP disclosed
US-5068461-A 1,1,1-trifluoro-2-(4-alkoxyphenyl)prop-2-ene compounds for aphids, mites and other insects IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-26 US disclosed
US-4937388-A Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-26 US disclosed
EP-0273549-A1 Insecticidal thioethers and derivatives thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-06 EP disclosed