SCHEMBL5140198

SCHEMBL5140198

Cc1cccc(C)c1[AsH]C(=O)[AsH]c1ccc(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.45
CA2 P00918 1/20 0.44
NPSR1 Q6W5P4 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGA4 P13612 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A7 Q99884 1/20 0.40
DGAT1 O75907 2/20 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
SCHEMBL5140765 0.82 NPSR1 (0.50) TDP1L3MBTL1ALDH1A1CA2NPSR1
SCHEMBL5035699 0.78 TDP1 (0.64) TDP1L3MBTL1ALDH1A1CA2NPSR1
SCHEMBL5035705 0.78 TDP1 (0.64) TDP1L3MBTL1ALDH1A1CA2NPSR1
SCHEMBL3092210 0.78 DGAT1 (0.55) TDP1L3MBTL1ALDH1A1NPSR1ITGB3
SCHEMBL3105657 0.75 DGAT1 (0.53) TDP1L3MBTL1ALDH1A1ITGB3ITGB1
SCHEMBL5036076 0.75 CA2 (0.64) TDP1L3MBTL1ALDH1A1CA2NPSR1
SCHEMBL1750558 0.75 CA2 (0.64) TDP1L3MBTL1ALDH1A1CA2NPSR1
SCHEMBL24313493 0.74 ALDH1A1 (0.56) TDP1L3MBTL1ALDH1A1CA2NPSR1
SCHEMBL3094864 0.74 DGAT1 (0.58) L3MBTL1ALDH1A1CA2NPSR1ITGB3
SCHEMBL3575901 0.73 TDP1 (0.66) TDP1L3MBTL1ALDH1A1CA2GAA

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