SCHEMBL14201059

SCHEMBL14201059

CCCCCCN(C(=O)CC(C)(C)C)C(CCCC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
GPR84 Q9NQS5 7/20 0.37
FFAR1 O14842 1/20 0.37
EPHX2 P34913 1/20 0.37
DNM1 Q05193 2/20 0.35
CA1 P00915 1/20 0.35
MAPK1 P28482 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL14200905 0.94 GPR84 (0.37) CA2GPR84FFAR1EPHX2FFAR4
SCHEMBL14201045 0.93 CA2 (0.37) CA2GPR84FFAR1CA1MAPK1
SCHEMBL14201134 0.90 CA2 (0.35) CA2GPR84FFAR1CA1MAPK1
SCHEMBL14201061 0.89 EPHX2 (0.38) CA2GPR84FFAR1EPHX2CA1
SCHEMBL14201099 0.87 CA2 (0.35) CA2GPR84FFAR1CA1MAPK1
SCHEMBL14201044 0.87 CA1 (0.33) CA2GPR84FFAR1EPHX2CA1
SCHEMBL14201072 0.86 CA2 (0.34) CA2GPR84FFAR1EPHX2CA1
SCHEMBL14201057 0.83 EPHX2 (0.39) CA2GPR84FFAR1EPHX2CA1
SCHEMBL14200985 0.83 GPR84 (0.40) CA2GPR84FFAR1EPHX2CA1
SCHEMBL14201131 0.82 EPHX2 (0.40) GPR84FFAR1EPHX2

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-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed