SCHEMBL30781975

SCHEMBL30781975

CCCOCCOCc1ccc(OCC(C)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.52
▸ ADRB1 P08588 1/20 0.52
▸ ADRB3 P13945 1/20 0.52
▸ LMNA P02545 3/20 0.49
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CASP1 P29466 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
SCHEMBL27182213 0.90 ADRB2 (0.56) ADRB2ADRB1ADRB3LMNAMEN1
SCHEMBL29688096 0.85 ADRB2 (0.70) ADRB2ADRB1ADRB3LMNAMEN1
SCHEMBL28404335 0.83 ADRB2 (0.78) ADRB2ADRB1ADRB3LMNAMEN1
SCHEMBL3911148 0.80 ADRB3 (0.60) ADRB2ADRB1ADRB3LMNAMEN1
SCHEMBL12172311 0.78 HSD17B10 (0.50) ADRB2ADRB1ADRB3LMNAHSD17B10
SCHEMBL9558777 0.77 CA1 (0.50) ADRB2ADRB1ADRB3LMNAHSD17B10
SCHEMBL7318214 0.77 ADRB2 (0.51) ADRB2ADRB1ADRB3LMNAMEN1
SCHEMBL8348164 0.77 LMNA (0.58) ADRB2ADRB1ADRB3LMNAMEN1
SCHEMBL28922466 0.77 LMNA (0.62) LMNASMN1; SMN2
SCHEMBL9721341 0.77 LMNA (0.62) ADRB2ADRB1LMNAMEN1KMT2A

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
EP-4344698-A1 LIQUID PHARMACEUTICAL FORMULATION OF BISOPROLOL Zentiva K.S. (CZ) 2024-04-03 — — EP disclosed
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