SCHEMBL8761047

SCHEMBL8761047

CN(C)CCOc1ccc(O)c(C=O)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.57
▸ CHRNB2 P17787 2/20 0.53
▸ CHRNA4 P43681 2/20 0.53
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 1/20 0.46
▸ LTA4H P09960 2/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ HSP90B1 P14625 1/20 0.43
▸ TRAP1 Q12931 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL8761425 0.88 TRIM24 (0.57) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL8415236 0.83 ERN1 (0.62) ERN1ALDH1A1LTA4HMAPT
SCHEMBL31166228 0.83 ERN1 (0.62) ERN1LTA4H
SCHEMBL902107 0.82 KDM4E (0.49) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL8421788 0.81 ERN1 (0.65) ERN1
SCHEMBL8761203 0.81 CA2 (0.49) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL9293338 0.81 CA2 (0.49) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL29952821 0.79 ERN1 (0.66) ERN1KDM4EALDH1A1LTA4HMAPT
SCHEMBL5882874 0.79 ERN1 (0.66) ERN1KDM4EALDH1A1LTA4HMAPT
SCHEMBL7595046 0.79 ERN1 (0.57) ERN1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0521787-B1 Vanadium complexes, their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-04-23 — — EP disclosed
US-5278154-A New vanadium complexes ADIR ET COMPAGNIE (FR) 1994-01-11 — — US disclosed
US-5266565-A Antidiabetic ADIR ET COMPAGNIE (FR) 1993-11-30 — — US disclosed
EP-0521787-A1 Vanadium complexes, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-01-07 — — EP disclosed
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