SCHEMBL7914960

SCHEMBL7914960

CCCOCc1ccc(OCC(CNC(C)C)OC=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.51
▸ ADRB1 P08588 3/20 0.51
▸ ADRB3 P13945 1/20 0.51
▸ LMNA P02545 3/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ADRA1A P35348 2/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2J2 P51589 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ CNR1 P21554 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
SCHEMBL7917172 0.79 ADRB2 (0.57) ADRB2ADRB1ADRB3LMNAMEN1
SCHEMBL28404335 0.77 ADRB2 (0.78) ADRB2ADRB1ADRB3LMNANFKB1
SCHEMBL7441132 0.73 LMNA (0.68) ADRB2ADRB1ADRB3LMNANFKB1
SCHEMBL14343723 0.72 ADRB2 (0.65) ADRB2ADRB1ADRB3LMNANFKB1
SCHEMBL27182213 0.71 ADRB2 (0.56) ADRB2ADRB1ADRB3LMNANFKB1
SCHEMBL28409380 0.71 ADRB2 (0.80) ADRB2ADRB1ADRB3LMNANFKB1
SCHEMBL612864 0.70 LMNA (0.75) ADRB2ADRB1ADRB3LMNANFKB1
SCHEMBL30781975 0.69 ADRB2 (0.52) ADRB2ADRB1ADRB3LMNANFKB1
SCHEMBL28403894 0.69 ADRB2 (0.78) ADRB2ADRB1ADRB3LMNANFKB1
SCHEMBL11862505 0.69 ADRB2 (0.73) ADRB2ADRB1ADRB3LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010061366-A1 MANUFACTURE OF BISOPROLOL AND INTERMEDIATES THEREFOR CORDEN PHARMA IP LIMITED (IE) 2010-06-03 — — WO disclosed
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