SCHEMBL9838216

SCHEMBL9838216

CCOC(=O)/C=C(/CC(=O)OCC)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
NPSR1 Q6W5P4 1/20 0.50
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
ALOX15 P16050 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
SOAT1 P35610 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
SCHEMBL9838210 0.83 NPSR1 (0.50) GAAMGAMSIMGAM2NPSR1
SCHEMBL10883433 0.81 GAA (0.44) GAAMGAMSIMGAM2NPSR1
SCHEMBL10883438 0.81 GAA (0.44) GAAMGAMSIMGAM2NPSR1
SCHEMBL13296298 0.80 NPSR1 (0.56) GAAMGAMSIMGAM2NPSR1
SCHEMBL19438257 0.80 NPSR1 (0.56) GAAMGAMSIMGAM2NPSR1
SCHEMBL10371323 0.79 GAA (0.56) GAAMGAMSIMGAM2NPSR1
SCHEMBL10371321 0.79 GAA (0.56) GAAMGAMSIMGAM2NPSR1
SCHEMBL28405928 0.79 GAA (0.56) GAAMGAMSIMGAM2NPSR1
SCHEMBL6974628 0.78 GAA (0.54) GAAMGAMSIMGAM2NPSR1
SCHEMBL9840301 0.78 GAA (0.54) GAAMGAMSIMGAM2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011944-A Substituted α-pyrones CIBA-GEIGY CORPORATION (US) 1991-04-30 US disclosed