SCHEMBL7534249

SCHEMBL7534249

O=COOCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.54
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
MAOA P21397 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MIF P14174 4/20 0.33
GPR84 Q9NQS5 1/20 0.32
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
MAP3K9 P80192 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
SCHEMBL7765 0.85 PNMT (0.57) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6535107 0.79 PNMT (0.54) PNMTDRD2DRD4DRD3NPC1
SCHEMBL8672207 0.78 PNMT (0.53) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6535116 0.78 PNMT (0.53) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7886099 0.77 PNMT (0.51) PNMTDRD2DRD4DRD3NPC1
SCHEMBL647004 0.77 PNMT (0.51) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7036967 0.77 PNMT (0.55) PNMTDRD2DRD4DRD3NPC1
SCHEMBL896998 0.77 PNMT (0.54) PNMTDRD2DRD4DRD3NPC1
SCHEMBL2316420 0.77 PNMT (0.54) PNMTDRD2DRD4DRD3NPC1
SCHEMBL3979804 0.76 PNMT (0.67) PNMTDRD2DRD4DRD3NPC1

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-2002020630-A1 PROCESS FOR THE PREPARATION OF GLYCEROL-BASED CROSSLINKED POLYMERIC GELS LIPAL BIOCHEMICALS (CH) 2002-03-14 WO claimed