SCHEMBL14647246

SCHEMBL14647246

CC(C)CCS(=O)(=O)C(C)(C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
PMP22 Q01453 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CA1 P00915 2/20 0.31
BLM P54132 1/20 0.31
SLC7A5 Q01650 1/20 0.30
NOS2 P35228 1/20 0.30
ANPEP P15144 2/20 0.30
RNPEP Q9H4A4 2/20 0.30
DNPEP Q9ULA0 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
SCHEMBL1691057 0.82 CNR2 (0.44) CNR2PMP22SLC1A3SLC1A2SLC1A1
SCHEMBL14647116 0.79
SCHEMBL12824338 0.74 CNR2 (0.46) CNR2
SCHEMBL1691139 0.74 MMP8 (0.42) CNR2PMP22
SCHEMBL12824344 0.73 CNR2 (0.36) CNR2
SCHEMBL21839147 0.72 CNR2 (0.33) CNR2
SCHEMBL10171155 0.70 CNR2 (0.35) CNR2
SCHEMBL12155293 0.70 CNR2 (0.35) CNR2
SCHEMBL5651155 0.70
SCHEMBL469446 0.69 CNR2 (0.44) CNR2

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
EP-2342200-B1 Compounds which selectively modulate the cb2 receptor BOEHRINGER INGELHEIM INT (DE) 2013-01-23 EP disclosed