SCHEMBL14229014

SCHEMBL14229014

CCCCN(CCC)S(=O)(=O)CCCF

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.41
CA12 O43570 5/20 0.39
CA2 P00918 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CNR2 P34972 1/20 0.37
BMP1 P13497 2/20 0.34
FAAH O00519 2/20 0.33
CA9 Q16790 2/20 0.31
CA7 P43166 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
ABCC2 Q92887 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
UGT1A7 Q9HAW7 1/20 0.31
SLC22A11 Q9NSA0 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL14229101 0.96 CNR2 (0.39) CA1CA12CA2CA14CNR2
SCHEMBL14230189 0.88 CA1 (0.48) CA1CA12CA2CA14CNR2
SCHEMBL14228923 0.86 CA1 (0.46) CA1CA12CA2CA14CNR2
SCHEMBL14229019 0.84 CNR2 (0.33) CNR2BMP1
SCHEMBL14229917 0.84 CNR2 (0.45) CA1CA12CA2CA14CNR2
SCHEMBL14229342 0.84 CNR2 (0.45) CA1CA12CA2CA14CNR2
SCHEMBL14229358 0.84 CA1 (0.48) CA1CA12CA2CA14CNR2
SCHEMBL14229012 0.83 CNR2 (0.46) CA1CA12CA2CA14CNR2
SCHEMBL14229874 0.81 CNR2 (0.45) CA1CA12CA2CA14CNR2
SCHEMBL27905197 0.81 CA1 (0.50) CA1CA12CA2CA14CNR2

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