SCHEMBL7599204

SCHEMBL7599204

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.60
MAPT P10636 2/20 0.60
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
ALDH1A1 P00352 3/20 0.51
HTR2A P28223 1/20 0.48
MGLL Q99685 1/20 0.47
KCNH2 Q12809 1/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
IDO1 P14902 1/20 0.44
MAOB P27338 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL7598491 1.00 L3MBTL1 (0.60) L3MBTL1MAPTCRHBPCRHR2ALDH1A1
SCHEMBL27332094 0.87 ALDH1A1 (0.51) L3MBTL1MAPTCRHBPCRHR2ALDH1A1
SCHEMBL9851261 0.84 MAPT (0.45) L3MBTL1MAPTCRHBPCRHR2ALDH1A1
SCHEMBL531154 0.83 MAPT (0.65) L3MBTL1MAPTCRHBPCRHR2ALDH1A1
SCHEMBL29071562 0.82 POLB (0.50) L3MBTL1MAPTALDH1A1HTR2AHTT
SCHEMBL9763703 0.82 DPP8 (0.51) L3MBTL1ALDH1A1HTR2AHTTRAB9A
SCHEMBL7544051 0.81 ALDH1A1 (0.60) L3MBTL1MAPTALDH1A1MGLLRAB9A
SCHEMBL28237905 0.81 ALDH1A1 (0.60) L3MBTL1MAPTALDH1A1MGLLRAB9A
SCHEMBL5710022 0.81 ALDH1A1 (0.60) L3MBTL1MAPTALDH1A1MGLLRAB9A
Hydrochloric Acid SCHEMBL10434967 0.81 DPP8 (0.50) L3MBTL1MAPTCRHBPCRHR2ALDH1A1

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