SCHEMBL7981241

SCHEMBL7981241

CCCCCCCC(CC)C(=O)NC(C)CO

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.51
CA1 P00915 3/20 0.51
CNR1 P21554 4/20 0.50
MMP2 P08253 5/20 0.43
MMP3 P08254 5/20 0.43
MMP1 P03956 3/20 0.43
BIRC2 Q13490 1/20 0.43
MMP7 P09237 1/20 0.43
MAPK1 P28482 1/20 0.43
KCNK3 O14649 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
CNR2 P34972 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL745017 0.84 CA2 (0.56) CA2CA1MMP2MMP3MMP1
SCHEMBL7982671 0.83 CNR1 (0.64) CA1CNR1MAPK1KCNK3ALDH1A1
SCHEMBL7992939 0.83 CNR1 (0.64) CA1CNR1MAPK1KCNK3ALDH1A1
SCHEMBL2058865 0.82 CA2 (0.63) CA2CA1MMP2MMP3MMP1
SCHEMBL5901979 0.80 FAAH (0.55) CA2CA1MMP2MMP3MMP1
SCHEMBL29063421 0.78 BIRC2 (0.70) CA2CA1MMP2MMP3MMP1
SCHEMBL20656646 0.77 CA2 (0.61) CA2CA1MAPK1ALDH1A1
SCHEMBL11095965 0.77 CA2 (0.66) CA2CA1MAPK1ALDH1A1
SCHEMBL20915578 0.77 CA2 (0.85) CA2CA1MMP2MMP3MMP1
SCHEMBL20915508 0.77 CA2 (0.85) CA2CA1MMP2MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009126502-A2 METHODS OF INHIBITING AND TREATING BIOFILMS USING GLYCOPEPTIDE ANTIBIOTICS TARGANTA THERAPEUTICS CORP. (US) 2009-10-15 WO disclosed