SCHEMBL4777779

SCHEMBL4777779

CC(C)COC(=O)N1CCCC(OS(C)(=O)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
GPR119 Q8TDV5 5/20 0.42
GAA P10253 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36
MMP13 P45452 1/20 0.36
DGAT2 Q96PD7 1/20 0.36

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
SCHEMBL5249314 0.95 GPR119 (0.45) RAB9AGPR119GAACHRM2CHRM1
SCHEMBL5695929 0.90 RAB9A (0.46) RAB9AGPR119GAATSHRMEN1
SCHEMBL18849448 0.86 GAA (0.50) GAACHRM1TSHRTP53TDP1
SCHEMBL3718960 0.80 RAB9A (0.52) RAB9AGPR119GAACHRM2CHRM1
SCHEMBL3022437 0.80 GAA (0.54) GAACHRM1TSHRTP53TDP1
SCHEMBL3849266 0.78 RAB9A (0.42) RAB9AGPR119GAACHRM2CHRM1
SCHEMBL3657261 0.77 RAB9A (0.48) RAB9AGPR119GAACHRM2CHRM1
SCHEMBL18825094 0.77 HRH3 (0.34) GPR119GAATSHRTP53TDP1
SCHEMBL1425929 0.77 HRH3 (0.34) GPR119GAATSHRTP53TDP1
SCHEMBL4008565 0.77 HPGD (0.54) GPR119MEN1HPGDKMT2A

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-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed