SCHEMBL3388313

SCHEMBL3388313

CCOC(=O)COc1ccc(C(C)(C)c2ccc(OCC(=O)OCC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.49
TBXAS1 P24557 1/20 0.49
EPHX2 P34913 1/20 0.48
PTPN1 P18031 1/20 0.48
IDH1 O75874 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL28499595 0.94 KDM4E (0.56) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL29226837 0.94 GAA (0.56) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL12412550 0.90 SMN1; SMN2 (0.65) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL5321792 0.89 GAA (0.60) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL5279675 0.85 GAA (0.60) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL11815554 0.84 GAA (0.72) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL12227872 0.83 SMN1; SMN2 (0.54) GAASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL11550281 0.82 GAA (0.70) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9267668 0.82 GAA (0.70) GAANPSR1SMN1; SMN2KDM4EHSD17B10
SCHEMBL1107148 0.82 GAA (0.70) GAANPSR1SMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954741-B1 DIHYDROXY AROMATIC COMPOUNDS, METHODS FOR PREPARATION POLYMERS MADE THEREFROM, AND METHOD OF POLYMER PREPARATION SABIC INNOVATIVE PLASTICS IP (NL) 2010-12-22 EP disclosed
EP-1954741-A1 DIHYDROXY AROMATIC COMPOUNDS, METHODS FOR PREPARATION POLYMERS MADE THEREFROM, AND METHOD OF POLYMER PREPARATION General Electric Company (US) 2008-08-13 EP disclosed
WO-2007064608-A1 DIHYDROXY AROMATIC COMPOUNDS, METHODS FOR PREPARATION POLYMERS MADE THEREFROM, AND METHOD OF POLYMER PREPARATION GENERAL ELECTRIC COMPANY (US) 2007-06-07 WO disclosed
US-7183431-B1 Dihydroxy aromatic compounds and methods for preparation GENERAL ELECTRIC COMPANY (US) 2007-02-27 US disclosed
US-6613769-B1 Incubating samples with enzyme inhibitors, then determining complexes formed; medical diagnosis; therapy for allergies and inflammation Max-Planck-Gesellschaft zur Föderung der Wissenschaften. e.V. (DE) 2003-09-02 US disclosed
US-6489327-B1 TREATING A DISEASE SUSCEPTIBLE TO TRYPTASE INHIBITION SUCH AS ASTHMA, INFLAMMATORY BOWEL DISEASE, PSORIASIS OR RHINITIS MAX-PLANCK-GESELLSCHAFT ZUR FORDRUNGDER WISENSCHAFTEN, E.V. (DE) 2002-12-03 US disclosed