SCHEMBL9257326

SCHEMBL9257326

OC(CNCCCCCCOCCOc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ ADRB2 P07550 8/20 0.54
▸ ADRB1 P08588 7/20 0.54
▸ ADRB3 P13945 7/20 0.54
▸ ALOX15 P16050 2/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ DRD2 P14416 2/20 0.51
▸ DRD4 P21917 2/20 0.51
▸ DRD3 P35462 2/20 0.51
▸ SLC6A2 P23975 2/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ ADRA1A P35348 2/20 0.51
▸ SLC6A3 Q01959 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ CHRM5 P08912 1/20 0.51
▸ ADRA2B P18089 1/20 0.51

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
SCHEMBL9261500 0.90 ADRB2 (0.58) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL9288791 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL10697568 0.83 ADRB2 (0.80) ADRB2ADRB1ADRB3ALOX15MEN1
SCHEMBL9262566 0.83 ADRB2 (0.70) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL9258109 0.83 ADRB2 (0.64) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL9252012 0.83 ADRB2 (0.70) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL9255595 0.82 ADRB2 (0.66) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL9286372 0.81 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL20689722 0.81 KDM4E (0.73) ALDH1A1SMN1; SMN2ADRB2ADRB1KMT2A
SCHEMBL9256991 0.81 ADRB2 (0.61) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3

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-1995019336-A1 PHENYL ETHANOL AMINE ETHERS AND USES THEREOF AS β-ADRENO-RECEPTOR AGONISTS IOVIS BIOMEDICAL AND PHARMACEUTICAL CONSULTANTS (NL) 1995-07-20 — — WO disclosed
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