SCHEMBL11279446

SCHEMBL11279446

O=C(O)CC1CC=CC1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 4/20 0.41
SLC6A11 P48066 4/20 0.41
SLC6A13 Q9NSD5 4/20 0.41
GRM2 Q14416 2/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
ABAT P80404 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
SLC6A1 P30531 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL2466288 0.79 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13GRM2GRM5
SCHEMBL16512741 0.79 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13GRM2GRM5
SCHEMBL16499292 0.79 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13GRM2GRM5
SCHEMBL9836735 0.76 TSHR (0.33)
SCHEMBL14535851 0.76 TSHR (0.33)
SCHEMBL25497628 0.75 SLC6A12 (0.35) SLC6A12SLC6A11SLC6A13
SCHEMBL11747344 0.74 SLC6A12 (0.38) SLC6A12SLC6A11SLC6A13GRM5HSD11B1
SCHEMBL11743735 0.74 SLC6A12 (0.38) SLC6A12SLC6A11SLC6A13GRM5HSD11B1
SCHEMBL2466422 0.74 SLC6A12 (0.38) SLC6A12SLC6A11SLC6A13GRM5HSD11B1
SCHEMBL9792876 0.72

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-4340732-A Butenolide herbicides and process for their preparation INTERNATIONAL DEVELOPMENT RESEARCH CENTRE OTTAWA ONTARIO CANADA K1G 3H9 A COORP OF CANADA (CA) 1982-07-20 US disclosed