SCHEMBL7537786

SCHEMBL7537786

CCCCCCCCCC(CCCCCC)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MBOAT4 Q96T53 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PTPN1 P18031 2/20 0.45
PTPRC P08575 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GAA P10253 1/20 0.43
EPHX2 P34913 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
SCHEMBL7541915 1.00 CETP (0.52) CETPALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL28667905 0.98 ALDH1A1 (0.52) CETPALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL28147418 0.94 ALDH1A1 (0.54) CETPALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL28663034 0.93 TSHR (0.58) CETPALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL28647837 0.93 ALDH1A1 (0.55) CETPALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL17377648 0.92 ALDH1A1 (0.48) CETPALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL28557157 0.90 ALDH1A1 (0.49) CETPALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL28657532 0.90 PTPN1 (0.49) CETPALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL28665500 0.90 ALDH1A1 (0.55) CETPALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL28123741 0.90 ALDH1A1 (0.50) CETPALDH1A1MAPK1TDP1L3MBTL1

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