SCHEMBL11438620

SCHEMBL11438620

CN(CCOc1ccccc1)CC(O)COc1cccc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.58
▸ CHRNA4 P43681 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HIF1A Q16665 1/20 0.53
▸ PRMT5 O14744 1/20 0.47
▸ WDR77 Q9BQA1 1/20 0.47
▸ KDM1A O60341 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL11276906 0.94 CHRNB2 (0.57) CHRNB2CHRNA4KDM4ELMNAMAPK1
SCHEMBL11273462 0.88 LMNA (0.59) KDM4ELMNAMAPK1HIF1AKDM1A
SCHEMBL11275931 0.84 TSHR (0.53) CHRNB2CHRNA4KDM4ELMNAMAPK1
SCHEMBL10346705 0.82 ALDH1A1 (0.61) CHRNB2CHRNA4MAPK1HIF1APRMT5
SCHEMBL12212607 0.78 KDM4E (0.59) KDM4ELMNAMAPK1HIF1AKDM1A
SCHEMBL10838063 0.77 HIF1A (0.51) KDM4ELMNAMAPK1HIF1APRMT5
SCHEMBL15296872 0.76 POLB (0.53) KDM4ELMNAMAPK1HIF1AKDM1A
SCHEMBL22207338 0.75 ADRB3 (0.55) CHRNB2CHRNA4KDM4EMAPK1HIF1A
SCHEMBL10836817 0.75 LMNA (0.49) KDM4ELMNAMAPK1HIF1APRMT5
SCHEMBL1957431 0.75 CHRNB2 (1.00) CHRNB2CHRNA4KDM4ELMNAALDH1A1

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-0006614-A2 Pyridyl- and imidazopyridyloxypropanolamines, process for preparing the same and pharmaceutical compositions containing the same MERCK & CO. INC. (US) 1980-01-09 — — EP disclosed
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