SCHEMBL5320127

SCHEMBL5320127

COCC(=O)OC.Nc1nc(N)nc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 4/20 0.39
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL29374 0.81
Methoxyacetic Acid SCHEMBL11137421 0.80 CYP1A2 (0.50) CYP1A2TSHRALDH1A1LMNA
Methoxymethane SCHEMBL11128205 0.78 HSD17B10 (0.39) HSD17B10HTTCYP1A2TSHRGAA
SCHEMBL29186436 0.78
Methane SCHEMBL29017317 0.78
Methoxyacetic Acid SCHEMBL11128207 0.74 CYP1A2 (0.40) CYP1A2TSHRL3MBTL1ALDH1A1
SCHEMBL12534515 0.72 TSHR (0.46) HSD17B10HTTTSHRGAAL3MBTL1
SCHEMBL736034 0.71 LMNA (0.40) HSD17B10CYP1A2ALDH1A1LMNA
Urea SCHEMBL11581340 0.71 CYP1A2 (0.42) CYP1A2GAAALDH1A1LMNANPSR1
SCHEMBL10908182 0.71 LMNA (0.40) HSD17B10CYP1A2ALDH1A1LMNA

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-1543088-B1 NOVEL ADHESIVES COMPRISING DIACETALS CLARIANT SPECIALTY FINE CHEM (FR) 2007-11-07 EP disclosed
US-20060194918-A1 Novel adhesives comprising diacetals CLARIANT (FRANCE) (FR) 2006-08-31 US disclosed
EP-1543088-A1 NOVEL ADHESIVES COMPRISING DIACETALS Clariant (France) (FR) 2005-06-22 EP disclosed
WO-2004029170-A1 NOVEL ADHESIVES COMPRISING DIACETALS CLARIANT (FRANCE) (FR) 2004-04-08 WO disclosed