SCHEMBL9744811

SCHEMBL9744811

O=C(O)C(c1cc(Br)ccc1O)c1cc(Br)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
ALOX15 P16050 2/20 0.48
CES2 O00748 1/20 0.48
GALR3 O60755 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CASP1 P29466 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ERN1 O75460 1/20 0.42
GSTA1 P08263 1/20 0.42
BCL2 P10415 1/20 0.41

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
SCHEMBL8324702 0.81 PTGS1 (0.57) HPGDALOX15CES2GALR3CYP1A2
SCHEMBL27506947 0.74 HPGD (0.48) HPGDALOX15CES2GALR3CYP1A2
SCHEMBL20856035 0.73 HPGD (0.53) HPGDALOX15CES2GALR3CYP1A2
SCHEMBL31182212 0.72 GABRA1 (0.58) HPGDALOX15CES2GALR3CYP1A2
SCHEMBL282835 0.72 GABRA1 (0.58) HPGDALOX15CES2GALR3CYP1A2
Formaldehyde SCHEMBL27866505 0.72 GABRA1 (0.52) HPGDALOX15CES2GALR3CYP1A2
SCHEMBL28175280 0.72 ALDH1A1 (0.52) HPGDALOX15KMT2AMEN1POLB
SCHEMBL487951 0.71 LMNA (0.43) HPGDALOX15CES2GALR3CYP1A2
SCHEMBL2984801 0.71 ALOX15 (0.48) HPGDALOX15CES2GALR3CYP1A2
SCHEMBL29462882 0.71 HPGD (0.69) HPGDCYP1A2CYP2C9CYP2C19KMT2A

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-0274467-B1 HEPATOCYTE DIRECTED VESICLE DELIVERY SYSTEM GEHO, W., Blair (US) 1992-05-20 EP disclosed
EP-0274467-A1 HEPATOCYTE DIRECTED VESICLE DELIVERY SYSTEM. BLAIR GEHO W (US) 1988-07-20 EP disclosed
EP-0274467-A4 HEPATOCYTE DIRECTED VESICLE DELIVERY SYSTEM. BLAIR GEHO W (US) 1988-06-16 EP disclosed
WO-1988000474-A1 HEPATOCYTE DIRECTED VESICLE DELIVERY SYSTEM BLAIR GEHO W (US) 1988-01-28 WO disclosed