SCHEMBL11020122

SCHEMBL11020122

CCOC(=O)CCCc1ccc(OCC(O)CNC(C)C)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 5/20 0.69
▸ ADRB1 P08588 3/20 0.69
▸ ADRA1A P35348 2/20 0.60
▸ NR3C1 P04150 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2J2 P51589 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ ABCB1 P08183 1/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ PMP22 Q01453 2/20 0.59
▸ CNR1 P21554 1/20 0.59
▸ ADRA1D P25100 1/20 0.59
▸ ADRA1B P35368 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ NFKB1 P19838 1/20 0.59

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
SCHEMBL11022108 0.93 ADRB2 (0.80) ADRB2ADRB1ADRA1ANR3C1CYP2D6
SCHEMBL11019746 0.89 ADRB2 (0.71) ADRB2ADRB1ADRA1ANR3C1CYP2D6
SCHEMBL11021642 0.86 ADRB2 (0.72) ADRB2ADRB1ADRA1ANR3C1CYP2D6
Hydrochloric Acid SCHEMBL28539285 0.85 ADRB2 (0.70) ADRB2ADRB1ADRA1ANR3C1CYP2D6
SCHEMBL11021053 0.84 ADRB2 (0.77) ADRB2ADRB1ADRA1ANR3C1CYP2D6
SCHEMBL11024513 0.83 KMT2A (0.49) ADRB2ADRB1TDP1NPSR1
Hydrochloric Acid SCHEMBL10841752 0.83 ADRB2 (0.75) ADRB2ADRB1ADRA1ANR3C1CYP2D6
SCHEMBL11022541 0.83 ADRB2 (0.48) ADRB2ADRB1CYP2D6
SCHEMBL13148928 0.83 ADRB2 (0.71) ADRB2ADRB1ADRA1ANR3C1CYP2D6
SCHEMBL28996319 0.83 ADRB2 (0.71) ADRB2ADRB1ADRA1ANR3C1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041491-A1 New para-substituted 3-phenoxy-1-alkylamino-propanol-2-s having beta receptor blocking properties Aktiebolaget Hässle (SE) 1981-12-09 — — EP claimed
EP-0041491-B1 NEW PARA-SUBSTITUTED 3-PHENOXY-1-ALKYLAMINO-PROPANOL-2-S HAVING BETA RECEPTOR BLOCKING PROPERTIES Aktiebolaget Hässle (SE) 1985-01-30 — — EP disclosed
EP-0041491-A1 New para-substituted 3-phenoxy-1-alkylamino-propanol-2-s having beta receptor blocking properties Aktiebolaget Hässle (SE) 1981-12-09 — — EP disclosed
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