SCHEMBL14201307

SCHEMBL14201307

CCCN(CCC(C)(C)C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 7/20 0.53
CA12 O43570 6/20 0.53
CA2 P00918 3/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
ABCC2 Q92887 1/20 0.53
SLC22A12 Q96S37 1/20 0.53
UGT1A7 Q9HAW7 1/20 0.53
SLC22A11 Q9NSA0 1/20 0.53
CA1 P00915 4/20 0.49
GLA P06280 1/20 0.47
PTGES O14684 1/20 0.47
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46

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
SCHEMBL13589872 0.94 GLA (0.53) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL14200224 0.91 CNR2 (0.50) CA9CA12CA2RAB9ASMN1; SMN2
Ditolamide SCHEMBL2110790 0.88 CA9 (0.64) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL14201255 0.84 TAS2R14 (0.55) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL9361266 0.83 CA9 (0.63) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL14200192 0.83 CA9 (0.53) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL14200199 0.82 CA12 (0.59) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL14229013 0.82 CA9 (0.61) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL14200223 0.80 ABCC9 (0.50) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL12391143 0.79 SMN1; SMN2 (0.58) CA9CA12CA2RAB9ASMN1; SMN2

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