SCHEMBL9714388

SCHEMBL9714388

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
CETP P11597 2/20 0.45
FFAR1 O14842 5/20 0.39
MAPK1 P28482 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAPK14 Q16539 2/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP1A2 P05177 2/20 0.36
NPC1 O15118 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL9714624 0.87 LTA4H (0.47) LTA4HCETPFFAR1MAPK1FFAR4
SCHEMBL9714215 0.85 LTA4H (0.45) LTA4HCETPFFAR1MAPK1FFAR4
SCHEMBL9561260 0.84 LTA4H (0.48) LTA4HCETPFFAR1MAPK1FFAR4
SCHEMBL9560412 0.82 LTA4H (0.46) LTA4HCETPFFAR1MAPK1FFAR4
SCHEMBL10865859 0.81 LTA4H (0.45) LTA4HCETPFFAR1MAPK1FFAR4
SCHEMBL9714189 0.76 CETP (0.48) LTA4HCETPFFAR1CYP1A2NPC1
SCHEMBL10554911 0.75 LTA4H (0.51) LTA4HCETPFFAR1FFAR4CYP1A2
SCHEMBL9560497 0.75 ALDH1A1 (0.41) LTA4HCETPFFAR1MAPK1FFAR4
SCHEMBL9560443 0.73 LTA4H (0.48) LTA4HCETPFFAR1MAPK1FFAR4
SCHEMBL9560713 0.71 LTA4H (0.46) LTA4HCETPFFAR1MAPK1FFAR4

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