SCHEMBL14201121

SCHEMBL14201121

CCCCCC(C)N(C(=O)C(C)C(C)(C)C)c1ccc(F)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.32
S1PR1 P21453 1/20 0.32
POLB P06746 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL14201160 0.92 S1PR1 (0.33) MLYCDS1PR1
SCHEMBL14230193 0.91 MLYCD (0.31) MLYCDS1PR1POLBPPARGPPARD
SCHEMBL14201176 0.89 MLYCD (0.34) MLYCDS1PR1POLB
SCHEMBL14201158 0.88 MLYCD (0.33) MLYCDS1PR1POLBPPARGPPARD
SCHEMBL14201194 0.87 S1PR1 (0.32) S1PR1POLB
SCHEMBL14229079 0.86 POLB (0.33) MLYCDS1PR1POLB
SCHEMBL14201180 0.86 S1PR1 (0.34) MLYCDS1PR1
SCHEMBL14229081 0.84 RIPK1 (0.39)
SCHEMBL14201151 0.84 POLB (0.32) MLYCDPOLBPPARGPPARDPPARA
SCHEMBL14200885 0.84

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-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