SCHEMBL4609939

SCHEMBL4609939

CCCCC(N[O])C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.38
CA1 P00915 4/20 0.38
MAPK1 P28482 1/20 0.37
PRSS1 P07477 2/20 0.35
CTSG P08311 2/20 0.35
CTRB1 P17538 2/20 0.35
CMA1 P23946 2/20 0.35
TSHR P16473 2/20 0.33
DNM1 Q05193 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
FDPS P14324 1/20 0.33
PDF Q9HBH1 1/20 0.33
CTSK P43235 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 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
SCHEMBL18103346 0.78 DNM1 (0.35) CA2CA1MAPK1PRSS1CTSG
SCHEMBL29029802 0.74 CA2 (0.50) CA2CA1MAPK1PRSS1CTSG
SCHEMBL24768942 0.71 PRSS1 (0.39) PRSS1CTSGCTRB1CMA1DNM1
SCHEMBL27439171 0.71 CTSK (0.43) CA2CA1MAPK1PRSS1CTSG
SCHEMBL28499257 0.69 CA1 (0.44) CA2CA1MAPK1PRSS1CTSG
SCHEMBL8373096 0.67 CA2 (0.44) CA2CA1MAPK1TSHRDNM1
SCHEMBL5737560 0.67 DNM1 (0.38) CA2CA1MAPK1TSHRDNM1
SCHEMBL18812607 0.66 FDPS (0.41) CA2CA1MAPK1TSHRDNM1
SCHEMBL4654399 0.66 DNM1 (0.41) CA2CA1MAPK1TSHRDNM1
SCHEMBL8132150 0.65

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080129462-A1 MAGNETIC COMPOSITE MATERIALS AND ARTICLES CONTAINING SUCH NOVA CHEMICALS INC. (US) 2008-06-05 US disclosed
EP-1907203-A2 MAGNETIC COMPOSITE MATERIALS AND ARTICLES CONTAINING SUCH Nova Chemicals Inc. (US) 2008-04-09 EP disclosed
WO-2007005487-A2 MAGNETIC COMPOSITE MATERIALS AND ARTICLES CONTAINING SUCH NOVA CHEMICALS INC. (US) 2007-01-11 WO disclosed