SCHEMBL14200430

SCHEMBL14200430

CCCCS(=O)(=O)N(CCC(C)(C)C)CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
BMP1 P13497 1/20 0.32
MMP3 P08254 1/20 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
SCHEMBL14200434 0.95 CA2 (0.33) CNR2MMP3
SCHEMBL14200427 0.94 CA2 (0.36) CNR2MMP3
SCHEMBL14200419 0.86 ALDH1A1 (0.30)
SCHEMBL14200424 0.85
SCHEMBL14229123 0.84 CNR2 (0.40) CNR2BMP1MMP3
SCHEMBL14201184 0.84 CNR2 (0.32) CNR2
SCHEMBL14200349 0.83 CNR2 (0.39) CNR2BMP1
SCHEMBL14201305 0.83 CA1 (0.40) CNR2BMP1
SCHEMBL14200218 0.83 CNR2 (0.39) CNR2BMP1
SCHEMBL14200390 0.83 TP53 (0.32) CNR2

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