SCHEMBL8438453

SCHEMBL8438453

OCc1cccc(C(O)CNCCCCCCOCCCCc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.74
▸ ADRB1 P08588 18/20 0.74
▸ ADRB3 P13945 17/20 0.74
▸ KDM4E B2RXH2 2/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ TP53 P04637 2/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ MAPK1 P28482 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ HTR1A P08908 1/20 0.74
▸ CHRM5 P08912 1/20 0.74
▸ DRD2 P14416 1/20 0.74
▸ ADRA2B P18089 1/20 0.74
▸ DRD4 P21917 1/20 0.74
▸ SLC6A2 P23975 1/20 0.74
▸ FPR3 P25089 1/20 0.74
▸ ADRA1D P25100 1/20 0.74
▸ HTR1D P28221 1/20 0.74
▸ HTR1B P28222 1/20 0.74
▸ HTR2A P28223 1/20 0.74

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
SCHEMBL17727765 0.91 ADRB2 (0.62) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL9262566 0.89 ADRB2 (0.70) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL9252012 0.89 ADRB2 (0.70) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL4767 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL29393289 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL4452108 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL29397921 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
Salmeterol SCHEMBL4768 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL4450046 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL9259555 0.84 ADRB2 (0.64) ADRB2ADRB1ADRB3KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639176-A1 BENZENEDIMETHANOL SUITABLE FOR MICRONISATION. GLAXO GROUP LTD (GB) 1995-02-22 — — EP claimed
WO-1993016031-A1 BENZENEDIMETHANOL DERIVATIVE SUITABLE FOR MICRONISATION GLAXO GROUP LIMITED (GB) 1993-08-19 — — WO claimed
WO-1992009557-A1 BENZENEDIMETHANOL SUITABLE FOR MICRONISATION GLAXO CROUP LIMITED (GB) 1992-06-11 — — WO claimed
CN-111067869-A Salmeterol ticasone formula and preparation method thereof 长沙而道新能源科技有限公司 2020-04-28 — — CN disclosed
CN-110776490-A Synthetic method of salmeterol intermediate derivative 刘科技 2020-02-11 — — CN disclosed
US-5871771-A SOLUBILIZING WITH POLYLACTIDE, SOLVENT REMOVAL, JET GRINDING; TIME-RELEASE AGENTS; INHALANTS FOR ASTHMA BOEHRINGER INGELHEIM KG (DE) 1999-02-16 — — US disclosed
Send feedback