SCHEMBL14229010

SCHEMBL14229010

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.33
CNR2 P34972 4/20 0.32
CNR1 P21554 2/20 0.32
MMP3 P08254 3/20 0.32
BMP1 P13497 1/20 0.30
FAAH O00519 3/20 0.30
CES2 O00748 2/20 0.30

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
SCHEMBL14229024 0.92 CES1 (0.34) CES1CNR2MMP3FAAHCES2
SCHEMBL14229598 0.87 CNR2 (0.36) CES1CNR2BMP1FAAHCES2
SCHEMBL14229123 0.85 CNR2 (0.40) CNR2MMP3BMP1
SCHEMBL14201184 0.85 CNR2 (0.32) CNR2CNR1
SCHEMBL14229175 0.84 CA1 (0.38) CES1CNR2BMP1FAAHCES2
SCHEMBL14228928 0.84 CNR2 (0.39) CES1CNR2MMP3BMP1FAAH
SCHEMBL14228930 0.82 CNR2 (0.41) CES1CNR2MMP3FAAH
SCHEMBL14230126 0.80 TP53 (0.36) CNR2MMP3BMP1
SCHEMBL14230127 0.80 PLA2G2C (0.35) CES1MMP3FAAHCES2
SCHEMBL14201212 0.80 CNR2 (0.33) CES1CNR2CNR1BMP1FAAH

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