SCHEMBL607937

SCHEMBL607937

CC(C)(C)c1cc(C[C@]2(C)C[C@H](c3cc(=O)[nH]o3)CCN2C(=O)O)cc(C(C)(C)C)c1.COC(=O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PLG P00747 5/20 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
SCHEMBL582272 0.88 PLG (0.41) PLG
SCHEMBL582088 0.88 PLG (0.41) PLG
SCHEMBL3073953 0.88 PLG (0.41) PLG
SCHEMBL3078613 0.88 PLG (0.41) PLG
SCHEMBL608007 0.85 PLG (0.35) PLG
SCHEMBL581927 0.82 PLG (0.44) PLG
SCHEMBL587197 0.81 PLG (0.50) PLG
SCHEMBL598841 0.81 PLG (0.44) PLG
SCHEMBL580880 0.80 PLG (0.41) PLG
SCHEMBL587277 0.80 PLG (0.41) PLG

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