SCHEMBL5336040

SCHEMBL5336040

CCOc1c(OC(C)C)ccc(O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.44
ESR1 P03372 4/20 0.40
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36

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
SCHEMBL3717672 0.80 SCN5A (0.41) SCN5AMAPTALDH1A1TSHRPDE4A
SCHEMBL18152141 0.78 SCN5A (0.46) SCN5AESR1MAPTMEN1KMT2A
SCHEMBL12476303 0.76 ESR1 (0.47) SCN5AESR1MAPTMEN1KMT2A
SCHEMBL25328087 0.76 IDO1 (0.38) SCN5AESR1MAPTMEN1KMT2A
SCHEMBL15012498 0.73 TUBB1 (0.38) ESR1MEN1KMT2AALDH1A1TSHR
SCHEMBL7737634 0.73 ALDH1A1 (0.38) SCN5AESR1ALDH1A1TSHRKDM4E
SCHEMBL16959326 0.72 SCN4A (0.44) SCN5AMAPTMEN1KMT2AGABRP
SCHEMBL25330137 0.72 ESR1 (0.35) SCN5AESR1MAPTMEN1KMT2A
SCHEMBL1608280 0.72 MAPT (0.33) MAPTMEN1KMT2AGABRPGABRD
SCHEMBL24403598 0.71 ALDH1A1 (0.37) MAPTMEN1KMT2AGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778142-B Preparation method of bisoprolol free base 北京金城泰尔制药有限公司沧州分公司 2023-03-28 CN claimed
CN-112778142-A Preparation method of bisoprolol free base 北京金城泰尔制药有限公司沧州分公司 2021-05-11 CN claimed
CN-102557891-A Preparation method for 4-isopropoxy ethyoxyl methyl phenol JINAN INOVAS CHEMICAL CO LTD 2012-07-11 CN claimed
CN-115974802-A Preparation method of bisoprolol fumarate intermediate 黑龙江珍宝岛药业股份有限公司鸡西分公司 2023-04-18 CN disclosed
CN-112778142-B Preparation method of bisoprolol free base 北京金城泰尔制药有限公司沧州分公司 2023-03-28 CN disclosed
CN-112778142-B Preparation method of bisoprolol free base 北京金城泰尔制药有限公司沧州分公司 2023-03-28 CN disclosed
CN-112778142-A Preparation method of bisoprolol free base 北京金城泰尔制药有限公司沧州分公司 2021-05-11 CN disclosed
CN-112778142-A Preparation method of bisoprolol free base 北京金城泰尔制药有限公司沧州分公司 2021-05-11 CN disclosed
CN-112194587-A Preparation method of chiral bisoprolol fumarate 江苏悦兴医药技术有限公司 2021-01-08 CN disclosed
CN-112194587-A Preparation method of chiral bisoprolol fumarate 江苏悦兴医药技术有限公司 2021-01-08 CN disclosed
CN-102557891-A Preparation method for 4-isopropoxy ethyoxyl methyl phenol JINAN INOVAS CHEMICAL CO LTD 2012-07-11 CN disclosed
WO-2007069266-A2 A NOVEL PROCESS FOR THE SYNTHESIS OF BISODPROLOL AND ITS INTERMEDIATE UNICHEM LABORATORIES LIMITED (IN) 2007-06-21 WO disclosed