SCHEMBL581276

SCHEMBL581276

CN1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.51
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
DRD2 P14416 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CFB P00751 1/20 0.35
PTGS2 P35354 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
SCHEMBL582168 0.85 PLG (0.44) PLGGABRA1GABRG2GABRB3DRD2
SCHEMBL581069 0.85 PLG (0.54) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581283 0.85 PLG (0.57) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL607188 0.83 PLG (0.42) PLGGABRA1GABRG2GABRB3PTGS2
SCHEMBL581151 0.83 PLG (0.42) PLGGABRA1GABRG2GABRB3PTGS2
SCHEMBL3074815 0.83 PLG (0.42) PLGGABRA1GABRG2GABRB3PTGS2
SCHEMBL587331 0.83 PLG (0.42) PLGGABRA1GABRG2GABRB3PTGS2
SCHEMBL581237 0.82 PLG (0.51) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581113 0.80 PLG (0.46) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581907 0.79 PLG (0.56) PLGGABRA1GABRG2GABRB3

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-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed