Sugi Predict

Sugi Predict / Compounds / SCHEMBL14201273

SCHEMBL14201273

SCHEMBL14201273

CCCCCCCS(=O)(=O)N(CCC)CCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CA2 P00918 5/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CES1 P23141 5/20 0.33
▸ CES2 O00748 2/20 0.33
▸ CA7 P43166 1/20 0.32

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
SCHEMBL14200363 1.00 FAAH (0.38) FAAHCA1CNR2CA2CA12
SCHEMBL14200353 0.98 CA1 (0.39) FAAHCA1CNR2CA2CA12
SCHEMBL14200355 0.93 CNR2 (0.40) FAAHCNR2CA2CES1CES2
SCHEMBL14201305 0.93 CA1 (0.40) CA1CNR2CA2CA12CA14
SCHEMBL14200354 0.91 CNR2 (0.38) FAAHCNR2CA2CES1CES2
SCHEMBL14200358 0.90 CNR2 (0.40) FAAHCNR2CA2CES1CES2
SCHEMBL14200364 0.88 CNR2 (0.38) FAAHCA1CNR2CA2CES1
SCHEMBL7864572 0.87 FAAH (0.48) FAAHCA1CNR2CA2CA12
SCHEMBL14200416 0.86 CNR2 (0.34) FAAHCA1CNR2CA2CA12
SCHEMBL14200218 0.86 CNR2 (0.39) CA1CNR2CA12CA14CA7

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 3 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
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 — — US disclosed