SCHEMBL3371591

SCHEMBL3371591

CC=CC(=O)OCC(O)COc1ccc(CC(C)c2ccc(OCC(O)COC(=O)C=CC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.40
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
ADRB3 P13945 2/20 0.40
ACACB O00763 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39
CNR1 P21554 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7545763 0.88 ALDH1A1 (0.50) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL721027 0.86 CYP1A2 (0.48) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL3194813 0.85 LMNA (0.48) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL7517507 0.83 POLB (0.46) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL5081247 0.81 KMT2A (0.50) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL10336222 0.81 POLB (0.44) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL3371589 0.81 POLB (0.47) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL9177632 0.79 MEN1 (0.49) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL941494 0.79 MAPT (0.47) LMNAPOLBMAPTNPSR1SMN1; SMN2
SCHEMBL1724938 0.78 LMNA (0.41) LMNAPOLBMAPTNPSR1SMN1; SMN2

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-2236122-B1 Polymer-modified glass ionomer cement VOCO GMBH (DE) 2017-08-30 EP disclosed
EP-1839640-B1 Curable dental materials VOCO GMBH (DE) 2010-11-03 EP disclosed
EP-2236122-A2 Polymer-modified glass ionomer cement VOCO GmbH (DE) 2010-10-06 EP disclosed
EP-1839640-A2 Curable dental materials VOCO GmbH (DE) 2007-10-03 EP disclosed