SCHEMBL7599255

SCHEMBL7599255

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 11/20 0.75
LIG1 P18858 1/20 0.63
THRB P10828 6/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
LMNA P02545 5/20 0.58
THRA P10827 3/20 0.58
HSD17B10 Q99714 3/20 0.58
USP2 O75604 3/20 0.58
TTR P02766 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
PDE4D Q08499 2/20 0.58
PPARG P37231 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
NR3C1 P04150 1/20 0.58
CYP1A2 P05177 1/20 0.58
HTR1A P08908 1/20 0.58
CYP2C9 P11712 1/20 0.58
TBXA2R P21731 1/20 0.58

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
SCHEMBL12866351 1.00 PCNA (0.75) PCNALIG1THRBMEN1KMT2A
Hydrochloric Acid SCHEMBL10802822 0.99 PCNA (0.73) PCNALIG1THRBMEN1KMT2A
Hydrochloric Acid SCHEMBL10802814 0.99 PCNA (0.73) PCNALIG1THRBMEN1KMT2A
SCHEMBL10878712 0.89 PCNA (0.77) PCNALIG1THRBMEN1KMT2A
SCHEMBL3226219 0.88 THRB (0.76) PCNATHRBMEN1KMT2ALMNA
SCHEMBL12866345 0.88 THRB (0.76) PCNATHRBMEN1KMT2ALMNA
SCHEMBL8369339 0.87 THRB (0.76) PCNATHRBMEN1KMT2ALMNA
SCHEMBL8369341 0.87 THRB (0.76) PCNATHRBMEN1KMT2ALMNA
SCHEMBL12584317 0.86 PCNA (0.64) PCNALIG1THRBLMNATHRA
Hydrochloric Acid SCHEMBL8825443 0.86 THRB (0.74) PCNATHRBMEN1KMT2ALMNA

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 3 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 disclosed
US-6458337-B1 Diagnostic imaging contrast agent with improved in serum relaxivity DIBRA S.P.A (IT) 2002-10-01 US disclosed
US-6337064-B1 USED AS CONTRAST AGENT IN MAGNETIC RESONANCE IMAGING, MEDICAL DIAGNOSIS DIBRA S.P.A. (IT) 2002-01-08 US disclosed