SCHEMBL7596233

SCHEMBL7596233

O=C(O)CN[C@@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 13/20 0.66
LIG1 P18858 1/20 0.55
THRB P10828 5/20 0.51
LMNA P02545 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
THRA P10827 3/20 0.51
PPARG P37231 2/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
ABCB11 O95342 1/20 0.51
F2 P00734 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
ADORA1 P30542 1/20 0.51
GABRA5 P31644 1/20 0.51

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
SCHEMBL10878718 0.88 PCNA (0.69) PCNALIG1THRBLMNAMEN1
SCHEMBL10878720 0.88 PCNA (0.69) PCNALIG1THRBLMNAMEN1
SCHEMBL6995423 0.86 THRB (0.65) PCNATHRBLMNAMEN1KMT2A
SCHEMBL11077737 0.84 PCNA (0.58) PCNALIG1THRBLMNAMEN1
SCHEMBL11077740 0.84 PCNA (0.58) PCNALIG1THRBLMNAMEN1
SCHEMBL13670909 0.80 PCNA (0.58) PCNALIG1THRBLMNATHRA
SCHEMBL5177568 0.80 PCNA (0.58) PCNALIG1THRBLMNATHRA
SCHEMBL5177663 0.80 PCNA (0.58) PCNALIG1THRBLMNATHRA
SCHEMBL445767 0.80 PCNA (1.00) PCNALIG1THRBLMNAMEN1
SCHEMBL1487713 0.80 PCNA (1.00) PCNALIG1THRBLMNAMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061956-B1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO SPA (IT) 2002-12-11 EP claimed
US-6337064-B1 USED AS CONTRAST AGENT IN MAGNETIC RESONANCE IMAGING, MEDICAL DIAGNOSIS DIBRA S.P.A. (IT) 2002-01-08 US claimed
EP-1061956-B1 MANGANESE CHELATES WITH HIGH RELAXIVITY IN SERUM BRACCO SPA (IT) 2002-12-11 EP disclosed
US-6337064-B1 USED AS CONTRAST AGENT IN MAGNETIC RESONANCE IMAGING, MEDICAL DIAGNOSIS DIBRA S.P.A. (IT) 2002-01-08 US disclosed