SCHEMBL6061019

SCHEMBL6061019

CC(C)(CO)COC(=O)c1ccc(C(=O)O)c(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.44
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.38
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL9723920 0.83 ALDH1A1 (0.54) TDP1ALDH1A1MAPK1HIF1ADGAT1
SCHEMBL10105023 0.81 SERPINE1 (0.41) SERPINE1TDP1PRKAB2PRKAG1PRKAA2
SCHEMBL11372672 0.81 KDM4E (0.43) SERPINE1TDP1PRKAB2PRKAG1PRKAA2
SCHEMBL11372670 0.79 SERPINE1 (0.45) SERPINE1TDP1MAPTPRKAB2PRKAG1
SCHEMBL21143374 0.78 TSHR (0.55) SERPINE1TDP1ALDH1A1HSD17B10MAPK1
SCHEMBL11311677 0.77 TSHR (0.34) SERPINE1TDP1MAPTPRKAB2PRKAG1
SCHEMBL3173907 0.76 TSHR (0.57) SELLSELPTDP1MAPTALDH1A1
SCHEMBL3453488 0.76 MAPT (0.49) SERPINE1TDP1MAPTALDH1A1MAPK1
SCHEMBL10101380 0.76 ALDH1A1 (0.38) SERPINE1TDP1MAPTPRKAB2PRKAG1
SCHEMBL7534902 0.74 SERPINE1 (0.53) SERPINE1TDP1ALDH1A1MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403299-B1 Solvent-free moisture-curable hot melt urethane resin composition DAINIPPON INK & CHEMICALS (JP) 2006-05-17 EP disclosed
EP-1403299-A1 Solvent-free moisture-curable hot melt urethane resin composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-03-31 EP disclosed