SCHEMBL9714669

SCHEMBL9714669

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
MAPK1 P28482 1/20 0.40
KIF11 P52732 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
RAD52 P43351 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 2/20 0.32
SLC2A1 P11166 1/20 0.32
HPGD P15428 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 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
SCHEMBL9714640 0.88 LTA4H (0.39) LTA4HMAPK1KIF11L3MBTL1MAPT
SCHEMBL9560672 0.82 LTA4H (0.42) LTA4HMAPK1KIF11L3MBTL1MAPT
SCHEMBL9747164 0.81 LTA4H (0.41) LTA4HMAPK1KIF11L3MBTL1MAPT
SCHEMBL9714624 0.80 LTA4H (0.47) LTA4HMAPK1KIF11L3MBTL1MAPT
SCHEMBL9714162 0.80 LTA4H (0.39) LTA4HMAPK1KIF11L3MBTL1MAPT
SCHEMBL9714661 0.80 LTA4H (0.39) LTA4HMAPK1KIF11L3MBTL1MAPT
SCHEMBL10551981 0.79 LTA4H (0.46) LTA4HMAPK1L3MBTL1MAPTLMNA
SCHEMBL9714593 0.79 LTA4H (0.41) LTA4HMAPK1KIF11L3MBTL1MAPT
SCHEMBL9560684 0.74 LTA4H (0.40) LTA4HMAPK1KIF11L3MBTL1MAPT
SCHEMBL9560742 0.74 LTA4H (0.40) LTA4HMAPK1KIF11L3MBTL1MAPT

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