SCHEMBL3371589

SCHEMBL3371589

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
ADRB3 P13945 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
CNR1 P21554 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL14565942 0.89 TSHR (0.51) POLBLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL721026 0.87 MAPT (0.51) POLBLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL3194809 0.85 POLB (0.53) POLBLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL13144353 0.85 POLB (0.53) POLBLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL819038 0.85 POLB (0.53) POLBLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL28725873 0.83 POLB (0.50) POLBLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL31040362 0.83 TDP1 (0.51) POLBLMNATSHRESR1ESR2
SCHEMBL10901654 0.83 POLB (0.50) POLBLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL15713256 0.83 POLB (0.55) POLBLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL14173333 0.83 POLB (0.55) POLBLMNAMAPTNPSR1SMN1; 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