SCHEMBL5399482

SCHEMBL5399482

CCOC(=O)C(O)(c1ccccc1)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.51
CHRM2 P08172 10/20 0.51
CHRM1 P11229 10/20 0.51
POLB P06746 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CHRM4 P08173 2/20 0.46
ALDH1A1 P00352 4/20 0.45
PIN1 Q13526 1/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM5 P08912 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
KIF11 P52732 1/20 0.41

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
SCHEMBL2289504 0.90 CHRM3 (0.46) CHRM3CHRM2CHRM1POLBCHRM4
SCHEMBL28905886 0.84 CHRM3 (0.54) CHRM3CHRM2CHRM1POLBMEN1
SCHEMBL2763579 0.83 POLB (0.62) CHRM3CHRM2CHRM1POLBMEN1
SCHEMBL25908477 0.83 CHRM3 (0.42) CHRM3CHRM2CHRM1MEN1KMT2A
Oxitefonium SCHEMBL29388802 0.82 CHRM1 (0.73) CHRM3CHRM2CHRM1POLBMEN1
Oxitefonium SCHEMBL2733669 0.81 CHRM1 (0.76) CHRM3CHRM2CHRM1POLBMEN1
SCHEMBL26529315 0.81 CHRM3 (0.42) CHRM3CHRM2CHRM1POLBCHRM4
SCHEMBL14166200 0.80 CHRM2 (0.50) CHRM3CHRM2CHRM1POLBMEN1
SCHEMBL2130216 0.79 PIN1 (0.44) CHRM3CHRM2CHRM1POLBKMT2A
SCHEMBL14408517 0.79 CHRM3 (0.48) CHRM3CHRM2CHRM1POLBMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39820-E1 As anticholinergics, administered by inhalation, they are useful for the treatment of chronic obstructive bronchitis or slight to moderately severe asthma; administered by the intravenous or oral routes, they are useful for the treatment of vagally induced sinus bradycardia BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-04 US disclosed
US-5770738-A ANTICHOLINERGIC AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-06-23 US disclosed
US-5654314-A RESPIRATORY SYSTEM DISORDERS BOEHRINGER INGELHEIM KG (DE) 1997-08-05 US disclosed
US-5610163-A ANTICHOLINERGIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1997-03-11 US disclosed