SCHEMBL13464094

SCHEMBL13464094

C=C(C)C1COc2cc3oc(=O)ccc3c(C)c2O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.62
▸ KDM4E B2RXH2 7/20 0.62
▸ HPGD P15428 7/20 0.62
▸ HSD17B10 Q99714 6/20 0.62
▸ GAA P10253 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSD17B3 P37058 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAPDH P04406 1/20 0.33

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
SCHEMBL14492724 0.88 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10GAA
Obliquin SCHEMBL29534204 0.77 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10GAA
Obliquin SCHEMBL12062102 0.77 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10GAA
Obliquin SCHEMBL2255488 0.77 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL15671347 0.64 — —
SCHEMBL18800681 0.59 GAA (0.46) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL6802035 0.58 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL16904152 0.57 MAOB (0.50) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL29563811 0.57 KMT2A (0.61) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL30954677 0.57 CYP2A6 (0.46) ALDH1A1KDM4EHPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1792623-B1 Use of extracts and constituents of leontopodium as enhancers of cholinergic function LEOPOLD FRANZENS UNI INNSBRUCK (AT) 2010-03-10 — — EP disclosed
WO-2007006492-A1 USE OF EXTRACTS AND CONSTITUENTS OF LEONTOPODIUM AS ENHANCERS OF CHOLINERGIC FUNCTION LEOPOLD-FRANZENS-UNIVERSITÄT INNSBRUCK (AT) 2007-01-18 — — WO disclosed
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