SCHEMBL8765787

SCHEMBL8765787

CCOC(=O)COc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ADRB3 P13945 1/20 0.47
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ENPP2 Q13822 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
EPHX2 P34913 1/20 0.41
NPY5R Q15761 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
HPGD P15428 2/20 0.40
CASP1 P29466 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 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
SCHEMBL9443665 0.92 ADRB3 (0.51) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL9443701 0.92 ADRB3 (0.51) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL9443694 0.92 ADRB3 (0.51) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL4730780 0.91 EPHX2 (0.44) ALDH1A1EPHX2HDAC8
SCHEMBL6106293 0.87 POLB (0.47) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL4853024 0.86 ALOX15 (0.49) ADRB3HSD17B10EPHX2HDAC8
SCHEMBL4736598 0.85 EPHX2 (0.44) EPHX2HDAC8
SCHEMBL8729260 0.85 POLB (0.46) POLBADRB3GAANPSR1ALDH1A1
SCHEMBL7405121 0.79 CA1 (0.49) POLBALDH1A1KDM4EHDAC8
SCHEMBL8768133 0.79 POLB (0.40) POLBADRB3GAANPSR1ALDH1A1

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-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed