SCHEMBL9817464

SCHEMBL9817464

COCC(OC(C)=O)c1ccc(OCC(O)CNC(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.60
▸ SLC6A2 P23975 1/20 0.60
▸ ADRB2 P07550 5/20 0.59
▸ ADRB1 P08588 5/20 0.59
▸ CYP2D6 P10635 3/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ ADRA1A P35348 2/20 0.59
▸ ADRB3 P13945 2/20 0.59
▸ OPRK1 P41145 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ NR3C1 P04150 1/20 0.59
▸ CYP2J2 P51589 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ TDP1 Q9NUW8 3/20 0.57
▸ PMP22 Q01453 2/20 0.57
▸ NPY1R P25929 1/20 0.57

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
SCHEMBL11119824 0.86 PTGS1 (0.68) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL11121118 0.83 PTGS1 (0.63) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL21792781 0.81 ADRB2 (0.69) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL9629567 0.79 ADRB2 (0.71) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL9629561 0.79 ADRB2 (0.71) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL11108671 0.79 ABCB1 (0.43) TSHRTDP1PMP22NPY1RNPY2R
Hydrochloric Acid SCHEMBL28473884 0.78 MAPT (0.63) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL11039844 0.77 TDP1 (0.59) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL6672267 0.77 ADRB2 (0.67) PTGS1SLC6A2ADRB2ADRB1CYP2D6
SCHEMBL30001611 0.76 ADRB2 (0.68) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041760-B1 PROCESS FOR THE PREPARATION OF 1-ISOPROPYLAMINO-3-(4-(2-METHOXY-ETHYL)-PHENOXY)-2-PROPANOL Aktiebolaget Hässle (SE) 1984-03-07 — — EP claimed
EP-0041760-A1 Process for the preparation of 1-isopropylamino-3-(4-(2-methoxy-ethyl)-phenoxy)-2-propanol Aktiebolaget Hässle (SE) 1981-12-16 — — EP claimed
JP-3014547-A — — None — — JP disclosed
JP-3014547-A — — None — — JP disclosed
JP-H0314547-A 1-ISOPROPYLAMINO-3-(4-(1-ACETOXY-2-METHOXYETHYL)-PHENOXY)-2-PROPANOL AND ITS PREPARATION HAESSLE:AB 1991-01-23 — — JP disclosed
JP-H0314547-A 1-ISOPROPYLAMINO-3-(4-(1-ACETOXY-2-METHOXYETHYL)-PHENOXY)-2-PROPANOL AND ITS PREPARATION HAESSLE:AB 1991-01-23 — — JP disclosed
EP-0041760-B1 PROCESS FOR THE PREPARATION OF 1-ISOPROPYLAMINO-3-(4-(2-METHOXY-ETHYL)-PHENOXY)-2-PROPANOL Aktiebolaget Hässle (SE) 1984-03-07 — — EP disclosed
EP-0041760-A1 Process for the preparation of 1-isopropylamino-3-(4-(2-methoxy-ethyl)-phenoxy)-2-propanol Aktiebolaget Hässle (SE) 1981-12-16 — — EP disclosed
EP-0041760-A1 Process for the preparation of 1-isopropylamino-3-(4-(2-methoxy-ethyl)-phenoxy)-2-propanol Aktiebolaget Hässle (SE) 1981-12-16 — — EP disclosed
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