SCHEMBL4656131

SCHEMBL4656131

CCOCC=NC(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.34
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
TSHR P16473 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
CYP2C9 P11712 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL1516900 1.00 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL2873888 0.83 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL9389710 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL3176109 0.80
SCHEMBL4655835 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL472211 0.78
SCHEMBL28241235 0.77
SCHEMBL30701924 0.76 GAA (0.33) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL30784346 0.76 GAA (0.33) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL30784314 0.76 GAA (0.33) ALDH1A1LMNAHSD17B10GAAALOX15

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-1996588-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS Torrent Pharmaceuticals Ltd (IN) 2008-12-03 EP disclosed
WO-2007100295-A1 NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS TORRENT PHARMACEUTICALS LTD (IN) 2007-09-07 WO disclosed
US-4845232-A DIAZOTIZATION, ETHERIFICATION, CHLORINATION NIHON NOHYAKU CO., LTD. (JP) 1989-07-04 US disclosed
EP-0220952-A1 Process for producing 1,2,4-triazolin-5-one derivatives, and intermediates therefor NIHON NOHYAKU CO., LTD. (JP) 1987-05-06 EP disclosed