SCHEMBL6893837

SCHEMBL6893837

NC[C@H]1CCC(CC(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
LMNA P02545 1/20 0.50
ANPEP P15144 1/20 0.44
ENPEP Q07075 1/20 0.44
SLC6A12 P48065 5/20 0.43
SLC6A11 P48066 5/20 0.43
SLC6A13 Q9NSD5 5/20 0.43
GABRR1 P24046 5/20 0.42
SLC6A1 P30531 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRA4 P48169 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM2 Q14416 2/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL15514529 1.00 PLG (0.50) PLGPLATLMNAANPEPENPEP
SCHEMBL30337771 1.00 PLG (0.50) PLGPLATLMNAANPEPENPEP
SCHEMBL7448393 0.91 CYP2D6 (0.43) PLGPLATLMNAANPEPENPEP
SCHEMBL11693682 0.88 SLC6A12 (0.50) PLGPLATLMNAANPEPENPEP
SCHEMBL10341442 0.86 PLG (0.60) PLGPLATLMNAANPEPENPEP
SCHEMBL19650816 0.86 SLC6A12 (0.46) PLGPLATLMNAANPEPENPEP
SCHEMBL14416203 0.86 PLG (0.60) PLGPLATLMNAANPEPENPEP
Hydrochloric Acid SCHEMBL9991894 0.84 PLG (0.58) PLGPLATLMNAANPEPENPEP
Hydrochloric Acid SCHEMBL1934473 0.84 PLG (0.58) PLGPLATLMNAANPEPENPEP
SCHEMBL1421999 0.78 LMNA (0.47) PLGPLATLMNASLC6A12SLC6A11

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-1480639-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2004-12-01 EP disclosed
WO-2003070237-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2003-08-28 WO disclosed