SCHEMBL581907

SCHEMBL581907

CN1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.56
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
ADAMTS5 Q9UNA0 1/20 0.32
ENPP2 Q13822 1/20 0.32

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
SCHEMBL581994 1.00 PLG (0.56) PLGGABRA1GABRG2GABRB3ADAMTS5
SCHEMBL581283 0.84 PLG (0.57) PLGGABRA1GABRG2GABRB3
SCHEMBL581817 0.82 PLG (0.46) PLGGABRA1GABRG2GABRB3ADAMTS5
SCHEMBL28812153 0.82 PLG (0.46) PLGGABRA1GABRG2GABRB3ADAMTS5
SCHEMBL27965545 0.82 PLG (0.46) PLGGABRA1GABRG2GABRB3ADAMTS5
SCHEMBL582270 0.82 PLG (0.52) PLGGABRA1GABRG2GABRB3
SCHEMBL581069 0.82 PLG (0.54) PLGGABRA1GABRG2GABRB3
SCHEMBL3079887 0.81 PLG (0.45) PLGGABRA1GABRG2GABRB3ADAMTS5
SCHEMBL582116 0.81 PLG (0.45) PLGGABRA1GABRG2GABRB3ADAMTS5
SCHEMBL586892 0.81 PLG (0.45) PLGGABRA1GABRG2GABRB3ADAMTS5

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