SCHEMBL11276906

SCHEMBL11276906

CN(CCOc1cccc(O)c1)CC(O)COc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.57
▸ CHRNA4 P43681 1/20 0.57
▸ HIF1A Q16665 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KDM1A O60341 2/20 0.46
▸ ADRB3 P13945 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41

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
SCHEMBL11438620 0.94 CHRNB2 (0.58) CHRNB2CHRNA4HIF1AKDM4ELMNA
SCHEMBL11275931 0.91 TSHR (0.53) CHRNB2CHRNA4HIF1AKDM4ELMNA
SCHEMBL11273462 0.90 LMNA (0.59) HIF1AKDM4ELMNAMAPK1KDM1A
SCHEMBL10346705 0.76 ALDH1A1 (0.61) CHRNB2CHRNA4HIF1AMAPK1PRMT5
SCHEMBL11280123 0.75 ADRB3 (0.64) ADRB3PTGS1SLC6A2KMT2AMEN1
SCHEMBL11272311 0.75 KMT2A (0.48) HIF1AADRB3PTGS1SLC6A2KMT2A
SCHEMBL22207338 0.74 ADRB3 (0.55) CHRNB2CHRNA4HIF1AKDM4EMAPK1
SCHEMBL29591093 0.74 CHRNB2 (1.00) CHRNB2CHRNA4KDM4ELMNAKMT2A
SCHEMBL1957431 0.74 CHRNB2 (1.00) CHRNB2CHRNA4KDM4ELMNAKMT2A
SCHEMBL22207426 0.73 HIF1A (0.51) CHRNB2CHRNA4HIF1AKDM4EMAPK1

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-0064487-A1 New substituted 3-(parasubstituted)phenoxy-1-alkylamino-propanol-2-s, as well as process for their preparation, pharmaceutical preparations containing same, and method for treating cardiac failure Aktiebolaget Hässle (SE) 1982-11-10 — — EP disclosed
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