SCHEMBL9518690

SCHEMBL9518690

N[C@@H]1CCCC[C@H]1N.O=C([O-])[C@H]1OCCOCCOCCOCCOCCO[C@H]1C(=O)[O-].[Pt+2]

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL9800574 1.00 THRB (0.36) THRBMEN1KMT2AMMP2MMP9
SCHEMBL9514928 1.00 THRB (0.36) THRBMEN1KMT2AMMP2MMP9
SCHEMBL9516654 1.00 THRB (0.36) THRBMEN1KMT2AMMP2MMP9
SCHEMBL9515475 1.00 THRB (0.36) THRBMEN1KMT2AMMP2MMP9
SCHEMBL9514945 0.81 THRB (0.39) THRBMEN1KMT2AMMP2MMP9
SCHEMBL9800579 0.79
SCHEMBL9516453 0.79
SCHEMBL9516583 0.79
SCHEMBL9514896 0.74 THRB (0.34) THRBMEN1KMT2AMMP2MMP9
SCHEMBL9514919 0.74 THRB (0.34) THRBMEN1KMT2AMMP2MMP9

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-0341409-B1 Platinum (II) complexes, their preparation and use as antitumour agents BOEHRINGER MANNHEIM ITALIA (IT) 1993-12-29 EP claimed
EP-0341409-B1 Platinum (II) complexes, their preparation and use as antitumour agents BOEHRINGER MANNHEIM ITALIA (IT) 1993-12-29 EP disclosed