SCHEMBL582636

SCHEMBL582636

CN1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1c1ccc(C(C)(C)C)s1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.49
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL581807 0.86 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL598801 0.83 PLG (0.41) PLGGABRA1GABRG2GABRB3
SCHEMBL581721 0.83 PLG (0.41) PLGGABRA1GABRG2GABRB3
SCHEMBL3073977 0.83 PLG (0.41) PLGGABRA1GABRG2GABRB3
SCHEMBL581306 0.79 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL581704 0.79 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL581283 0.76 PLG (0.57) PLGGABRA1GABRG2GABRB3SIGMAR1
Acetic Acid SCHEMBL27853124 0.75 PLG (0.51) PLGGABRA1GABRG2GABRB3
SCHEMBL581069 0.74 PLG (0.54) PLGGABRA1GABRG2GABRB3SIGMAR1
SCHEMBL581237 0.74 PLG (0.51) PLGGABRA1GABRG2GABRB3SIGMAR1

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