SCHEMBL7599200

SCHEMBL7599200

CCCCCCCCC(CCC)(C(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MGLL Q99685 1/20 0.45
MAOB P27338 1/20 0.45
KCNH2 Q12809 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
HTR2A P28223 1/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL7598489 0.93 ALDH1A1 (0.49) ALDH1A1MGLLMAOBMAPTHTT
SCHEMBL22579719 0.89 ALDH1A1 (0.48) ALDH1A1MGLLMAOBMAPTHTT
SCHEMBL8940532 0.83 MAOB (0.52) ALDH1A1MAOBMAPTHTTHTR2A
SCHEMBL7541915 0.80 CETP (0.52) ALDH1A1L3MBTL1GAA
SCHEMBL7537786 0.80 CETP (0.52) ALDH1A1L3MBTL1GAA
SCHEMBL8940536 0.79 MAOB (0.49) ALDH1A1MAOBMAPTHTTHTR2A
SCHEMBL5710022 0.79 ALDH1A1 (0.60) ALDH1A1MGLLMAPTRAB9AL3MBTL1
SCHEMBL28237905 0.79 ALDH1A1 (0.60) ALDH1A1MGLLMAPTRAB9AL3MBTL1
SCHEMBL7544051 0.79 ALDH1A1 (0.60) ALDH1A1MGLLMAPTRAB9AL3MBTL1
SCHEMBL28667905 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200454-A1 BISPLATINUM COMPLEXES ACTIVE THROUGH THE ORAL ROUTE Novuspharma S.p.A. (IT) 2002-05-02 EP disclosed
WO-2001009149-A1 BISPLATINUM COMPLEXES ACTIVE THROUGH THE ORAL ROUTE NOVUSPHARMA S.P.A. (IT) 2001-02-08 WO disclosed