SCHEMBL14229598

SCHEMBL14229598

CCCCN(CCCC)S(=O)(=O)CCCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
CES1 P23141 5/20 0.35
FAAH O00519 5/20 0.35
CES2 O00748 3/20 0.35
BMP1 P13497 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
ESR2 Q92731 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 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
SCHEMBL14229175 0.96 CA1 (0.38) CNR2CES1FAAHCES2BMP1
SCHEMBL14201212 0.92 CNR2 (0.33) CNR2CES1FAAHCES2BMP1
SCHEMBL14229344 0.91 CES1 (0.36) CNR2CES1FAAHCES2BMP1
SCHEMBL14229360 0.87 CA1 (0.39) CNR2CES1FAAHCES2LPAR1
SCHEMBL14229010 0.87 CES1 (0.33) CNR2CES1FAAHCES2BMP1
SCHEMBL14200206 0.83 CES1 (0.32) CNR2CES1FAAHCES2
SCHEMBL14200360 0.83 CA1 (0.35) EDNRBEDNRA
SCHEMBL14229012 0.82 CNR2 (0.46) CNR2FAAHBMP1
SCHEMBL14229348 0.80 BMP1 (0.32) CES1FAAHCES2BMP1LPAR1
SCHEMBL14229874 0.80 CNR2 (0.45) CNR2CES1FAAHCES2BMP1

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