SCHEMBL6554256

SCHEMBL6554256

O=C(OCC(=CO)c1ccccc1)C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
KIF11 P52732 1/20 0.38
SCN5A Q14524 3/20 0.37
SCN9A Q15858 3/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
MAOB P27338 1/20 0.36
CHRM3 P20309 4/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
VNN1 O95497 1/20 0.36
CHRM4 P08173 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDPK1 O15530 1/20 0.35

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
Bromomethane SCHEMBL7087263 0.96 SCN5A (0.37) ERCC5FEN1KIF11SCN5ASCN9A
SCHEMBL7085988 0.86 MEN1 (0.43) MAOBCHRM3CHRM2CHRM1MEN1
SCHEMBL7082177 0.85 PDPK1 (0.41) KIF11CHRM3CHRM2CHRM1MEN1
SCHEMBL3911903 0.85 KCNN4 (0.41) KCNK3CHRM3CHRM2CHRM1MEN1
SCHEMBL14142417 0.85 LMNA (0.45) KCNK3MAOBCHRM3MEN1KMT2A
SCHEMBL7085713 0.85 NPC1 (0.41) CHRM3CHRM2CHRM1MEN1KMT2A
Bromomethane SCHEMBL7081929 0.83 KMT2A (0.44) MAOBCHRM3CHRM2CHRM1MEN1
SCHEMBL543310 0.83 KCNN4 (0.40) CHRM3CHRM2CHRM1MEN1KMT2A
Bromomethane SCHEMBL7084864 0.82 PDPK1 (0.39) KIF11CHRM3CHRM2CHRM1MEN1
Bromomethane SCHEMBL120034 0.82 KCNN4 (0.39) KCNK3CHRM3CHRM2CHRM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
EP-1325001-B1 ANTICHOLINERGIC AGENTS THAT CAN BE USED AS MEDICAMENTS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2004-02-18 EP disclosed
EP-1382606-A2 8-azabicyclo[3.2.1]octane derivatives and their use as anticholinergics BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-21 EP disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
EP-1325001-A1 ANTICHOLINERGIC AGENTS THAT CAN BE USED AS MEDICAMENTS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-09 EP disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed
WO-2002032899-A1 NOVEL ANTICHOLINERGIC AGENTS THAT CAN BE USED AS MEDICAMENTS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed