SCHEMBL7063440

SCHEMBL7063440

C=C(C(N)=O)C(CCCC)CCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
CA1 P00915 4/20 0.48
MAPK1 P28482 1/20 0.41
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
SLC1A3 P43003 1/20 0.40
SOAT1 P35610 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL28205535 0.91 CA2 (0.57) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL28855294 0.83 CA2 (0.50) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL28522786 0.83 CA2 (0.50) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL28420933 0.83 CA2 (0.64) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL1412205 0.83 CA2 (0.50) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL15156047 0.81 CA2 (0.67) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL12002446 0.79 CA2 (0.48) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL28875767 0.78 TDP1 (0.48) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL16245163 0.78 CA2 (0.57) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL30543254 0.76 CA2 (0.55) CA2CA1MAPK1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102560-A1 Polyamide compositions for molding NOZAKI MASAHIRO (JP) 2004-05-27 US claimed
US-20040102560-A1 Polyamide compositions for molding NOZAKI MASAHIRO (JP) 2004-05-27 US disclosed
EP-1200523-A1 POLYAMIDE COMPOSITIONS FOR MOLDING E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-05-02 EP disclosed
WO-2001009246-A1 POLYAMIDE COMPOSITIONS FOR MOLDING E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-02-08 WO disclosed