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Sugi Predict / Compounds / SCHEMBL588272

SCHEMBL588272

SCHEMBL588272

CC(C)(C)c1ccc([C@@H]2C[C@@H](c3cc(=O)[nH]o3)CCN2)cc1.COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 13/20 0.42
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ CTSK P43235 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
SCHEMBL588011 0.93 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL581153 0.92 PLG (0.43) PLGGABRA1GABRG2GABRB3CTSK
SCHEMBL586917 0.92 PLG (0.43) PLGGABRA1GABRG2GABRB3CTSK
SCHEMBL587886 0.90 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL588248 0.84 PLG (0.42) PLGGABRA1GABRG2GABRB3
SCHEMBL598012 0.84 PLG (0.42) PLGGABRA1GABRG2GABRB3
SCHEMBL580825 0.84 PLG (0.42) PLGGABRA1GABRG2GABRB3
SCHEMBL3069533 0.84 PLG (0.42) PLGGABRA1GABRG2GABRB3
SCHEMBL581605 0.84 PLG (0.59) PLGGABRA1GABRG2GABRB3
SCHEMBL581604 0.84 PLG (0.59) 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