SCHEMBL8765929

SCHEMBL8765929

O=C(c1cccc2ccccc12)C(O)OC(O)C(=O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
MMP3 P08254 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
CDC25B P30305 2/20 0.50
PTPN1 P18031 1/20 0.50
PLK1 P53350 1/20 0.50
POLB P06746 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
PTK2B Q14289 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
CNR2 P34972 2/20 0.44

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
SCHEMBL1164084 0.82 NR4A1 (0.63) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2599103 0.78 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2599098 0.78 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL5925095 0.77 NR4A1 (0.52) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL32665708 0.76 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL28567510 0.76 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL5716814 0.76 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL10350928 0.76 PLK1 (0.58) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL4828437 0.76 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL6837113 0.76 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8

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