SCHEMBL27720295

SCHEMBL27720295

O=C(O)CC1COCCC(O)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.36
SLC6A11 P48066 5/20 0.36
SLC6A13 Q9NSD5 5/20 0.36
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRA4 P48169 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DGAT1 O75907 1/20 0.32
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
HSD11B1 P28845 1/20 0.31

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
SCHEMBL628314 0.82
SCHEMBL628315 0.82
SCHEMBL1691652 0.82
SCHEMBL16037148 0.78 SLC6A12 (0.40) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL337618 0.76 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10086732 0.76 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL337617 0.76 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL12080316 0.75 SLC6A12 (0.39) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL12081534 0.75 SLC6A12 (0.39) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL2201489 0.75 SLC6A12 (0.39) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5

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
CN-101171230-A Heterocyclic-substituted alkanamides useful as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2008-04-30 CN disclosed