SCHEMBL581919

SCHEMBL581919

CN1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1CC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.59
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43

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
SCHEMBL581751 0.85 PLG (0.49) PLGGABRA1GABRG2GABRB3
SCHEMBL581363 0.85 PLG (0.49) PLGGABRA1GABRG2GABRB3
SCHEMBL586821 0.83 PLG (0.55) PLGGABRA1GABRG2GABRB3
SCHEMBL587746 0.81 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL3078661 0.81 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL581377 0.81 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL587463 0.81 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL581688 0.81 PLG (0.59) PLGGABRA1GABRG2GABRB3
SCHEMBL583159 0.79 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL582150 0.79 PLG (0.52) 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