SCHEMBL6973873

SCHEMBL6973873

CCN(CC)C(=O)c1ccc(C(O)c2ccc3ccccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
LMNA P02545 1/20 0.51
OPRD1 P41143 12/20 0.48
MAPT P10636 1/20 0.47
OPRM1 P35372 5/20 0.46
OPRK1 P41145 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4576604 0.78 ALDH1A1 (0.65) ALDH1A1HPGDOPRD1MAPTOPRM1
SCHEMBL8527824 0.78 HPGD (0.58) ALDH1A1HPGDLMNAOPRD1MAPT
SCHEMBL22926327 0.76 HPGD (0.59) ALDH1A1HPGDLMNAMAPTL3MBTL1
SCHEMBL6892426 0.75 OPRD1 (0.61) ALDH1A1HPGDOPRD1MAPTOPRM1
SCHEMBL6794687 0.74 OPRD1 (0.60) ALDH1A1HPGDLMNAOPRD1MAPT
SCHEMBL29044143 0.72 MEN1 (0.66) ALDH1A1HPGDLMNAMAPTL3MBTL1
SCHEMBL4934180 0.71 HPGD (0.50) ALDH1A1HPGDLMNAOPRD1MAPT
SCHEMBL4678352 0.71 OPRD1 (0.65) ALDH1A1HPGDLMNAOPRD1MAPT
SCHEMBL6248099 0.70 CYP1A2 (0.51) ALDH1A1HPGDOPRD1MAPTOPRM1
SCHEMBL6848182 0.70 ALDH1A1 (0.62) ALDH1A1HPGDLMNAMAPT

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-1242402-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-11-12 EP disclosed