SCHEMBL14201255

SCHEMBL14201255

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA2 P00918 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
ABCC2 Q92887 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
UGT1A7 Q9HAW7 1/20 0.49
SLC22A11 Q9NSA0 1/20 0.49
BMP1 P13497 3/20 0.48
CNR2 P34972 1/20 0.46
MMP1 P03956 1/20 0.46
MMP7 P09237 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
SCHEMBL14200189 0.92 TAS2R14 (0.56) TAS2R14SMN1; SMN2RAB9ALMNAHTT
SCHEMBL14200203 0.92 CNR2 (0.53) TAS2R14SMN1; SMN2RAB9ALMNAHTT
SCHEMBL13900681 0.88 TAS2R14 (0.57) TAS2R14SMN1; SMN2RAB9ALMNAHTT
SCHEMBL14200223 0.85 ABCC9 (0.50) SMN1; SMN2RAB9ALMNAHTTL3MBTL1
SCHEMBL14201307 0.84 CA9 (0.53) SMN1; SMN2RAB9ALMNAL3MBTL1CA12
SCHEMBL14229338 0.84 TAS2R14 (0.62) TAS2R14SMN1; SMN2RAB9ALMNAHTT
SCHEMBL13979922 0.80 CNR2 (0.61) TAS2R14SMN1; SMN2RAB9ALMNAHTT
SCHEMBL14261130 0.80 TAS2R14 (0.55) TAS2R14SMN1; SMN2RAB9ALMNAHTT
SCHEMBL31337910 0.80 TAS2R14 (0.69) TAS2R14SMN1; SMN2RAB9ACA12CA9
SCHEMBL14200192 0.79 CA9 (0.53) SMN1; SMN2RAB9ALMNAHTTL3MBTL1

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