SCHEMBL7688653

SCHEMBL7688653

O=C1CCCN1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
ACACB O00763 1/20 0.58
HRH3 Q9Y5N1 2/20 0.52
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
LMNA P02545 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GFER P55789 1/20 0.48
FAAH O00519 1/20 0.47
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL17048467 0.86 L3MBTL1 (0.67) L3MBTL1HRH3HCRTR1HCRTR2LMNA
SCHEMBL180739 0.85 L3MBTL1 (0.86) L3MBTL1ACACBHRH3LMNAACHE
SCHEMBL8269584 0.85 L3MBTL1 (0.69) L3MBTL1HRH3HCRTR1HCRTR2LMNA
Hydrochloric Acid SCHEMBL6818365 0.84 L3MBTL1 (0.83) L3MBTL1ACACBHRH3LMNAACHE
SCHEMBL596252 0.84 L3MBTL1 (0.96) L3MBTL1ACACBHRH3ACHEKCNH2
SCHEMBL11200681 0.83 L3MBTL1 (0.76) L3MBTL1ACACBHRH3ACHEKCNH2
SCHEMBL1626076 0.82 L3MBTL1 (1.00) L3MBTL1ACACBHRH3ACHEALDH1A1
SCHEMBL7269112 0.82 L3MBTL1 (1.00) L3MBTL1ACACBHRH3ACHEALDH1A1
SCHEMBL9212361 0.82 L3MBTL1 (1.00) L3MBTL1ACACBHRH3ACHEALDH1A1
SCHEMBL610772 0.82 L3MBTL1 (1.00) L3MBTL1ACACBHRH3ACHEALDH1A1

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
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed