SCHEMBL14201072

SCHEMBL14201072

CCCCCN(C(=O)CC(C)(C)C)C(CC)CCC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.34
CA1 P00915 2/20 0.34
EPHX2 P34913 1/20 0.33
MAPK1 P28482 1/20 0.33
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL14201428 0.95 CA2 (0.35) CA2CA1MAPK1GPR84FFAR1
SCHEMBL14200905 0.92 GPR84 (0.37) CA2EPHX2GPR84FFAR1
SCHEMBL14201061 0.90 EPHX2 (0.38) CA2CA1EPHX2GPR84FFAR1
SCHEMBL14201052 0.89 CA1 (0.30) CA2CA1
SCHEMBL14201044 0.89 CA1 (0.33) CA2CA1EPHX2MAPK1GPR84
SCHEMBL14201043 0.87 CA1 (0.37) CA2CA1EPHX2MAPK1
SCHEMBL14201134 0.86 CA2 (0.35) CA2CA1MAPK1GPR84FFAR1
SCHEMBL14201059 0.86 CA2 (0.39) CA2CA1EPHX2MAPK1GPR84
SCHEMBL14201057 0.84 EPHX2 (0.39) CA2CA1EPHX2GPR84FFAR1
SCHEMBL14201099 0.83 CA2 (0.35) CA2CA1MAPK1GPR84FFAR1

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
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed