SCHEMBL2585653

SCHEMBL2585653

CC(C)NCC(O)COc1ccc(CO)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.72
▸ SLC6A2 P23975 1/20 0.72
▸ ADRB2 P07550 6/20 0.70
▸ ADRB1 P08588 6/20 0.70
▸ CYP2D6 P10635 3/20 0.70
▸ ADRA1A P35348 2/20 0.70
▸ NR3C1 P04150 1/20 0.70
▸ CYP2J2 P51589 1/20 0.70
▸ PDE4D Q08499 1/20 0.70
▸ ADRB3 P13945 3/20 0.69
▸ MAPT P10636 1/20 0.68
▸ LMNA P02545 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ CNR1 P21554 1/20 0.68
▸ ADRA1D P25100 1/20 0.68
▸ ADRA1B P35368 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ GLA P06280 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68

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
SCHEMBL16341905 1.00 PTGS1 (0.72) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL28412321 0.89 PTGS1 (0.74) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL3462992 0.88 ADRB2 (0.75) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL11020445 0.88 PTGS1 (0.72) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL28407478 0.88 PTGS1 (0.72) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL15159029 0.87 ADRB2 (0.73) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL611850 0.86 PTGS1 (0.70) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL28403894 0.86 ADRB2 (0.78) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL13204479 0.85 ADRB2 (0.75) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL7946116 0.84 PTGS1 (0.77) PTGS1SLC6A2ADRB2ADRB1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 — — CN claimed
EP-4344698-A1 LIQUID PHARMACEUTICAL FORMULATION OF BISOPROLOL Zentiva K.S. (CZ) 2024-04-03 — — EP disclosed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 — — CN disclosed
EP-2857014-B1 A pharmaceutical composition comprising aspirin and bisoprolol CAL INTERNAT LTD (IE) 2016-06-22 — — EP disclosed
EP-2857014-A1 A pharmaceutical composition comprising aspirin and bisoprolol CAL INTERNATIONAL LIMITED (IE) 2015-04-08 — — EP disclosed
EP-2566472-B1 A PHARMACEUTICAL COMPOSITION COMPRISING ASPIRIN AND BISOPROLOL CAL INTERNAT LTD (IE) 2015-01-07 — — EP disclosed
EP-2566472-A1 A PHARMACEUTICAL COMPOSITION COMPRISING ASPIRIN AND BISOPROLOL CAL INTERNATIONAL LIMITED (IE) 2013-03-13 — — EP disclosed
WO-2011138772-A1 A PHARMACEUTICAL COMPOSITION COMPRISING ASPIRIN AND BISOPROLOL CAL INTERNATIONAL LIMITED (IE) 2011-11-10 — — WO disclosed
WO-2007069266-A2 A NOVEL PROCESS FOR THE SYNTHESIS OF BISODPROLOL AND ITS INTERMEDIATE UNICHEM LABORATORIES LIMITED (IN) 2007-06-21 — — WO disclosed
WO-2007069266-A2 A NOVEL PROCESS FOR THE SYNTHESIS OF BISODPROLOL AND ITS INTERMEDIATE UNICHEM LABORATORIES LIMITED (IN) 2007-06-21 — — WO disclosed
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