SCHEMBL586989

SCHEMBL586989

C[C@@]1(c2ccc(OC(F)(F)F)cc2F)C[C@H](c2cc(=O)[nH]o2)CCN1C(=O)O.O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.32
PLG P00747 1/20 0.32
TRPV1 Q8NER1 3/20 0.30

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
SCHEMBL581391 0.88 PLG (0.38) RORCPLG
SCHEMBL581389 0.83 PLG (0.38) RORCPLGTRPV1
SCHEMBL3072586 0.83 PLG (0.38) RORCPLGTRPV1
SCHEMBL3075019 0.83 PLG (0.38) RORCPLGTRPV1
SCHEMBL581390 0.83 PLG (0.38) RORCPLGTRPV1
SCHEMBL582131 0.77 PLG (0.45) PLG
SCHEMBL27869770 0.77 PLG (0.38) PLG
SCHEMBL597504 0.77 PLG (0.41) PLG
SCHEMBL27869863 0.76 PLG (0.38) RORCPLG
SCHEMBL582807 0.76 PLG (0.40) 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