SCHEMBL5260655

SCHEMBL5260655

CCOC(=O)C(Cc1ccc(Oc2nc(C)cc3ccncc23)cn1)NC1=C(CC)C(=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.34
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
ELANE P08246 1/20 0.31
DRD1 P21728 1/20 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
SCHEMBL5262517 0.94 NLRP3 (0.33) NLRP3PPARGPPARA
SCHEMBL5262851 0.94 NLRP3 (0.33) NLRP3
SCHEMBL5264252 0.93 PPARG (0.33) PPARGPPARADRD1
SCHEMBL5263308 0.87 PPARG (0.33) PPARGPPARADRD1
SCHEMBL5313936 0.86 EGLN1 (0.31) PPARGPPARADRD1
SCHEMBL5335132 0.84 ELANE (0.34) NLRP3ELANE
SCHEMBL5260662 0.80 DRD1 (0.32) DRD1
SCHEMBL5260665 0.80 EGLN1 (0.31) DRD1
SCHEMBL5260171 0.79 SCN9A (0.43) NLRP3PPARGPPARA
SCHEMBL5264792 0.79 SCN9A (0.38) NLRP3PPARGPPARADRD1

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-1332132-B1 ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES UCB PHARMA SA (BE) 2007-10-10 EP disclosed
US-6780874-B2 AUTOIMMUNE DISEASE; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE AGENT CELLTECH R & D LIMITED (GB) 2004-08-24 US disclosed