SCHEMBL5140404

SCHEMBL5140404

CC(C)[C@H](NC(=O)c1ccc(-c2ccc([AsH]C(=O)Cc3ccc(F)cc3F)cc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.55
CSGALNACT1 Q8TDX6 3/20 0.48
NPSR1 Q6W5P4 1/20 0.42
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3088907 0.83 DGAT1 (0.58) DGAT1CSGALNACT1NPSR1HDAC1HDAC6
SCHEMBL3121185 0.83 DGAT1 (0.58) DGAT1CSGALNACT1NPSR1HDAC1HDAC6
SCHEMBL3096212 0.74 DGAT1 (0.80) DGAT1CSGALNACT1
SCHEMBL3095825 0.74 DGAT1 (0.80) DGAT1CSGALNACT1
SCHEMBL21274594 0.73 CA2 (0.63) DGAT1CSGALNACT1NPSR1CA2CA1
SCHEMBL21274591 0.73 CA2 (0.63) DGAT1CSGALNACT1NPSR1CA2CA1
SCHEMBL3099772 0.72 DGAT1 (0.80) DGAT1CSGALNACT1
SCHEMBL3100460 0.72 DGAT1 (0.80) DGAT1CSGALNACT1
SCHEMBL3094969 0.71 DGAT1 (0.71) DGAT1CSGALNACT1CA2CA1
SCHEMBL4760256 0.70 DGAT1 (0.62) DGAT1NPSR1CA2CA1PPARG

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
EP-1912634-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Healthcare, LLC (US) 2008-04-23 EP claimed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO claimed