SCHEMBL7050808

SCHEMBL7050808

CCCC1CCC(c2cc([S])ccc2-c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRL1 P41146 7/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
CHRM1 P11229 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7048810 0.92 GAA (0.39) RAB9ACYP2C9MAPTMAPK1MEN1
SCHEMBL5013937 0.91 GAA (0.37) RAB9ACYP2C9MAPTMAPK1MEN1
SCHEMBL261970 0.84 PTGS2 (0.42) KDM4ERAB9AL3MBTL1CYP2C9MAPT
SCHEMBL9845089 0.84 BRD4 (0.43) KDM4ERAB9AL3MBTL1CYP2C9MAPT
SCHEMBL30475373 0.84 BRD4 (0.43) KDM4ERAB9AL3MBTL1CYP2C9MAPT
SCHEMBL263138 0.84 BRD4 (0.43) KDM4ERAB9AL3MBTL1CYP2C9MAPT
SCHEMBL27878839 0.81 KDM4E (0.37) KDM4ERAB9AL3MBTL1CYP2C9MAPT
SCHEMBL15255890 0.81 KDM4E (0.37) KDM4ERAB9AL3MBTL1CYP2C9MAPT
SCHEMBL4650916 0.78 KDM4E (0.38) KDM4ERAB9AL3MBTL1CYP2C9MAPT
SCHEMBL9493973 0.78 KDM4E (0.36) KDM4ERAB9AL3MBTL1CYP2C9MAPT

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
WO-2003014259-A2 ANTHRAQUINONE COMPOUND, LIQUID CRYSTAL COMPOSITION, CELL AND DISPLAY DEVICE EMPLOYING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 2003-02-20 WO disclosed