SCHEMBL9714640

SCHEMBL9714640

CCOc1ccc(C(O)(CSCc2cccc(Oc3ccccc3)n2)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
MAPK1 P28482 1/20 0.39
KIF11 P52732 1/20 0.34
ACSS2 Q9NR19 3/20 0.34
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.33
LIPE Q05469 2/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
F2 P00734 2/20 0.33
F10 P00742 2/20 0.33
MLYCD O95822 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 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
SCHEMBL9714669 0.88 LTA4H (0.41) LTA4HMAPK1KIF11ACSS2MAPT
SCHEMBL9560742 0.83 LTA4H (0.40) LTA4HMAPK1KIF11ACSS2MAPT
SCHEMBL9714388 0.81 LTA4H (0.45) LTA4HMAPK1MAPTL3MBTL1LMNA
SCHEMBL10551981 0.78 LTA4H (0.46) LTA4HMAPK1MAPTL3MBTL1LMNA
SCHEMBL9714593 0.78 LTA4H (0.41) LTA4HMAPK1KIF11MAPTL3MBTL1
SCHEMBL9560672 0.74 LTA4H (0.42) LTA4HMAPK1KIF11MAPTL3MBTL1
SCHEMBL9747164 0.73 LTA4H (0.41) LTA4HMAPK1KIF11MAPTL3MBTL1
SCHEMBL9560684 0.73 LTA4H (0.40) LTA4HMAPK1KIF11MAPTL3MBTL1
SCHEMBL9714661 0.72 LTA4H (0.39) LTA4HMAPK1KIF11MAPTL3MBTL1
SCHEMBL9714162 0.72 LTA4H (0.39) LTA4HMAPK1KIF11MAPTL3MBTL1

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