SCHEMBL8939307

SCHEMBL8939307

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GSR P00390 2/20 0.33
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
TSHR P16473 1/20 0.30
CTH P32929 1/20 0.30
CBS P35520 1/20 0.30
THPO P40225 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
SCHEMBL456770 0.79
SCHEMBL28185249 0.77
SCHEMBL8939278 0.76
Nitric Acid SCHEMBL3183755 0.72 THRB (0.53) THRBMEN1KMT2AGSR
Nitric Acid SCHEMBL3184457 0.72 THRB (0.53) THRBMEN1KMT2AGSR
SCHEMBL10535181 0.72 MEN1 (0.59) THRBMEN1KMT2AGSR
Acetic Acid SCHEMBL8939309 0.72 THRB (0.42) THRBMEN1KMT2AGSR
Methoxyacetic Acid SCHEMBL28365078 0.71 NPSR1 (0.41) THRBMEN1KMT2ASLC6A12SLC6A11
Phosphoric Acid SCHEMBL305359 0.71 ALDH1A1 (0.36) THRBMEN1KMT2ATSHRCTH
Glycolic Acid SCHEMBL10888599 0.71 THRB (0.50) THRBMEN1KMT2ASLC6A12SLC6A11

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
US-5585511-A ANTITUMOR AGENTS, SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-12-17 US disclosed