SCHEMBL7757797

SCHEMBL7757797

COc1ccc(C(=O)c2ccsc2Cc2ccc(C)c(C)c2)cc1C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NAMPT P43490 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 2/20 0.34
PTGDR Q13258 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CHRM4 P08173 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7673557 0.82 ACHE (0.46) MAPTLMNAALDH1A1KDM4E
SCHEMBL6736716 0.72 PTGDR2 (0.39) PTGDR2MAPTKMT2ALMNAHPGD
SCHEMBL6735126 0.72 MAPT (0.40) PTGDR2MAPTMEN1KMT2ALMNA
SCHEMBL7670166 0.72 THRB (0.34) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4395843 0.69 CA12 (0.57) PTGDR2KMT2ALMNAPTGDR
SCHEMBL7436101 0.68 PTGDR2 (0.48) PTGDR2MEN1KMT2APTGDR
SCHEMBL7792659 0.68 CA12 (0.56) PTGDR2LMNAPTGDR
SCHEMBL6740976 0.67 NUDT1 (0.38) KMT2AALDH1A1
SCHEMBL22516364 0.67 MEN1 (0.49) PTGDR2MEN1KMT2APTGDR
SCHEMBL17810318 0.67 KMT2A (0.45) PTGDR2MAPTMEN1KMT2APTGDR

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-1077969-A1 BENZOTHIOPHENES, BENZOFURANS, AND INDOLES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
WO-1999061435-A1 BENZOTHIOPHENES, BENZOFURANS, AND INDOLES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 WO disclosed