SCHEMBL4979436

SCHEMBL4979436

CCCCOC(=O)NCCC(NC(=O)C(F)(F)F)c1cnn2c1N(C(=O)O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.36
ITGA2B P08514 9/20 0.36
ELANE P08246 1/20 0.33
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
ACHE P22303 6/20 0.31

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
SCHEMBL4196108 0.91 ITGB3 (0.35) ITGB3ITGA2BELANEACHE
SCHEMBL4198742 0.76 KMT2A (0.35) HRH4HRH3ACHE
SCHEMBL4192563 0.75 KMT2A (0.34) HRH4HRH3ACHE
SCHEMBL4669848 0.57 ACHE (0.57) ACHE
SCHEMBL30357422 0.56 EPHX1 (0.42) ACHE
SCHEMBL10440897 0.56 NPC1 (0.57) ACHE
SCHEMBL19331815 0.56 NPC1 (0.57) ACHE
SCHEMBL3975468 0.56 ACHE (0.88) ACHE
SCHEMBL7569673 0.56 ACHE (0.81) ACHE
SCHEMBL10939707 0.56 ACHE (0.81) ACHE

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-1994035-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
WO-2007119511-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS ASTELLAS PHARMA INC. (JP) 2007-10-25 WO disclosed