SCHEMBL5155667

SCHEMBL5155667

Cc1c(CCC(=O)OCC(C)C)sc2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.36
PFKFB4 Q16877 1/20 0.36
MAPT P10636 2/20 0.34
TBXAS1 P24557 1/20 0.32
DHODH Q02127 1/20 0.32
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PPARA Q07869 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 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
SCHEMBL4654028 0.81 PFKFB3 (0.38) PFKFB3PFKFB4MAPTTBXAS1TP53
SCHEMBL4655093 0.78 ALDH1A1 (0.40) MAPTL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4655071 0.72 MAPT (0.36) PFKFB3PFKFB4MAPTTBXAS1ALDH1A1
SCHEMBL4655072 0.71 LMNA (0.38) MAPTALDH1A1TP53SMN1; SMN2KDM4E
SCHEMBL4654001 0.70 PIM1 (0.34) PFKFB3PFKFB4MAPTTBXAS1L3MBTL1
SCHEMBL10947088 0.67 KMT2A (0.50) PFKFB3PFKFB4MAPTDHODHTSHR
SCHEMBL25946676 0.64 SMN1; SMN2 (0.45) MAPTTSHRL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2896475 0.64 GPR35 (0.58) PFKFB3PFKFB4TBXAS1ALDH1A1TP53
SCHEMBL5094416 0.64 PFKFB3 (0.43) PFKFB3PFKFB4MAPTTBXAS1ALDH1A1
SCHEMBL10958206 0.64 PFKFB3 (0.54) PFKFB3PFKFB4MAPTTSHRL3MBTL1

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-1740568-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORPORATION (US) 2007-01-10 EP disclosed
WO-2005077926-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed