SCHEMBL8539138

SCHEMBL8539138

CCOC(=O)c1sc(C(=O)O)c2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
GAA P10253 4/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MC4R P32245 1/20 0.41
ALDH1A1 P00352 9/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 5/20 0.39
MEN1 O00255 4/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
DHODH Q02127 1/20 0.38
CASP3 P42574 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL6314895 0.93 KMT2A (0.49) KMT2AGAAHSD17B10MAPTNPC1
SCHEMBL1719912 0.83 GAA (0.49) KMT2AGAAHSD17B10MAPTNPC1
SCHEMBL8541114 0.83 KMT2A (0.40) KMT2AGAAHSD17B10MAPTNPC1
SCHEMBL8539380 0.80 ALDH1A1 (0.34) ALDH1A1HPGDMAPK1POLBTSHR
SCHEMBL13515134 0.80 KMT2A (0.46) KMT2AGAAHSD17B10MAPTNPC1
SCHEMBL13515153 0.80 KMT2A (0.46) KMT2AGAAHSD17B10MAPTNPC1
SCHEMBL13515150 0.77 KMT2A (0.44) KMT2AGAAHSD17B10MAPTNPC1
SCHEMBL14650157 0.77 ALDH1A1 (0.45) KMT2AGAAHSD17B10MAPTNPC1
SCHEMBL5730753 0.76 KMT2A (0.43) KMT2AGAAHSD17B10MAPTNPC1
SCHEMBL2926559 0.76 KMT2A (0.43) KMT2AGAAHSD17B10MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827501-A INERT TRIARYLMETHYL FREE RADICAL CONTRAST AGENTS FOR ELECTRON SPIN RESONANCE (ESR) ENHANCED MAGNETIC RESONANCE (EMR) IMAGING NYCOMED IMAGING AS (NO) 1998-10-27 US disclosed
US-5599522-A CONTRAST ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1997-02-04 US disclosed
EP-0515458-B1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI NYCOMED INNOVATION AB (SE) 1995-08-23 EP disclosed
EP-0515458-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI. HAFSLUND NYCOMED INNOVATION (SE) 1992-12-02 EP disclosed
WO-1991012024-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI HAFSLUND NYCOMED INNOVATION AB (SE) 1991-08-22 WO disclosed