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SCHEMBL581798

SCHEMBL581798

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(C(F)(F)F)nc1.O=c1cc([C@H]2CCN[C@H](c3ccc(C(F)(F)F)nc3)C2)o[nH]1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 13/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ EGLN3 Q9H6Z9 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 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
SCHEMBL581072 0.94 PLG (0.39) PLGHRH3EGLN2EGLN1EGLN3
SCHEMBL624657 0.94 PLG (0.39) PLGHRH3EGLN2EGLN1EGLN3
SCHEMBL603159 0.94 PLG (0.39) PLGHRH3EGLN2EGLN1EGLN3
SCHEMBL582454 0.94 PLG (0.39) PLGHRH3EGLN2EGLN1EGLN3
SCHEMBL588011 0.87 PLG (0.44) PLGGABRA1GABRG2GABRB3
SCHEMBL587169 0.85 PLG (0.39) PLGGABRA1GABRG2GABRB3
Acetic Acid SCHEMBL27965571 0.84 PLG (0.48) PLGHRH3GABRA1GABRG2GABRB3
Acetic Acid SCHEMBL28797520 0.84 PLG (0.48) PLGHRH3GABRA1GABRG2GABRB3
SCHEMBL581587 0.84 PLG (0.51) PLGHRH3GABRA1GABRG2GABRB3
SCHEMBL581586 0.84 PLG (0.51) PLGHRH3GABRA1GABRG2GABRB3

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