SCHEMBL9714593

SCHEMBL9714593

CCOc1ccc(C(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 0.35
CETP P11597 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KCNH2 Q12809 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CNR2 P34972 1/20 0.32
ACACB O00763 1/20 0.31

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
SCHEMBL9560885 0.82 LTA4H (0.42) LTA4HMAPK1CETPMAPTNPC1
SCHEMBL7922559 0.82 LTA4H (0.42) LTA4HMAPK1CETPMAPTNPC1
SCHEMBL9714189 0.80 CETP (0.48) LTA4HCETPNPC1CYP1A2CYP3A4
SCHEMBL10551981 0.79 LTA4H (0.46) LTA4HMAPK1MAPTNPC1RAB9A
SCHEMBL9714669 0.79 LTA4H (0.41) LTA4HMAPK1MAPTNPC1RAB9A
SCHEMBL9714640 0.78 LTA4H (0.39) LTA4HMAPK1MAPTMAPK8MAPK10
SCHEMBL9804535 0.75 LTA4H (0.41) LTA4HMAPK1CETPMAPTNPC1
SCHEMBL9335440 0.73 LTA4H (0.46) LTA4HMAPK1RAB9AKCNH2CYP1A2
SCHEMBL10865464 0.70 LTA4H (0.40) LTA4HMAPK1CETPMAPTNPC1
SCHEMBL9570732 0.70 MEN1 (0.35) LTA4HKCNH2L3MBTL1KMT2AMEN1

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 1 patent. 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