SCHEMBL9517588

SCHEMBL9517588

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 1/20 0.30
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL9517478 0.88
SCHEMBL9516487 0.88
Ethylenediamine SCHEMBL9516578 0.74 MEN1 (0.41) THRBMEN1KMT2A
Dibromoacetic Acid SCHEMBL30556381 0.70 THRB (0.46) THRBMEN1KMT2AANPEPERAP2
Cadaverine Tartrate SCHEMBL30432913 0.70 THRB (0.46) THRBMEN1KMT2AANPEPERAP2
SCHEMBL9517544 0.69 EPHX2 (0.33) MMP2MMP9CA12CA1CA2
SCHEMBL9516723 0.69
SCHEMBL9514924 0.69 EPHX2 (0.33) MMP2MMP9CA12CA1CA2
SCHEMBL9516450 0.69 EPHX2 (0.33) MMP2MMP9CA12CA1CA2
SCHEMBL9517602 0.69 EPHX2 (0.33) MMP2MMP9CA12CA1CA2

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