SCHEMBL4622730

SCHEMBL4622730

O=C(O)[C@H](O)[C@@H](Oc1cc2ccccc2[nH]1)[C@H](OCl)[C@@H](CO)OBr

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
MAPT P10636 1/20 0.33
DAO P14920 1/20 0.33
HPGD P15428 1/20 0.33
SRD5A2 P31213 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.32
IDO1 P14902 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FLT3 P36888 2/20 0.32
MAPK1 P28482 2/20 0.31
AKR1C3 P42330 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MDM2 Q00987 1/20 0.31
PYGL P06737 2/20 0.31
GAA P10253 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 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
SCHEMBL7212875 0.85 CYP2A6 (0.32) KDM4EALDH1A1
SCHEMBL3225191 0.85 CYP2A6 (0.32) KDM4EALDH1A1
SCHEMBL8632759 0.77 CYP2A6 (0.32)
SCHEMBL55697 0.76 KDM4E (0.34) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL4608629 0.75 KDM4E (0.33) KDM4EMAPTDAOHPGDSRD5A2
Cyclohexane SCHEMBL8638010 0.73 KDM4E (0.32) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL6570396 0.70 KDM4E (0.38) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL1246522 0.70 KDM4E (0.36) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL6146231 0.69 KDM4E (0.38) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL3370817 0.69 KDM4E (0.50) KDM4EMAPTDAOHPGDSRD5A2

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-1983056-A1 Method for transforming monocotyledons JAPAN TOBACCO INC. (JP) 2008-10-22 EP disclosed
EP-0604662-B1 METHOD OF TRANSFORMING MONOCOTYLEDON JAPAN TOBACCO INC (JP) 2008-06-18 EP disclosed
US-5591616-A Method for transforming monocotyledons JAPAN TOBACCO, INC. (JP) 1997-01-07 US disclosed
EP-0604662-A1 METHOD OF TRANSFORMING MONOCOTYLEDON JAPAN TOBACCO INC. (JP) 1994-07-06 EP disclosed