SCHEMBL14200224

SCHEMBL14200224

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.50
ESR2 Q92731 1/20 0.49
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA2 P00918 1/20 0.47
RAB9A P51151 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
ABCC2 Q92887 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
UGT1A7 Q9HAW7 1/20 0.47
SLC22A11 Q9NSA0 1/20 0.47

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
SCHEMBL14201307 0.91 CA9 (0.53) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL13589872 0.91 GLA (0.53) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL3694171 0.89 CNR2 (0.58) CNR2ESR2PSEN1PSEN2APH1B
SCHEMBL14200191 0.87 CA12 (0.51) CNR2ESR2PSEN1PSEN2APH1B
SCHEMBL14200193 0.87 MEN1 (0.52) CNR2ESR2SMN1; SMN2POLBCA12
SCHEMBL14229013 0.86 CA9 (0.61) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL14200203 0.85 CNR2 (0.53) CNR2ESR2SMN1; SMN2RAB9AHTT
SCHEMBL8101278 0.84 CNR2 (0.64) CNR2SMN1; SMN2POLBCA12CA9
SCHEMBL14200195 0.84 CA12 (0.48) ESR2SMN1; SMN2POLBCA12CA9
SCHEMBL14200198 0.83 MAPT (0.55) ESR2SMN1; SMN2POLBCA12CA9

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