SCHEMBL7086476

SCHEMBL7086476

O=C(OCC(=CO)c1ccccc1)C(O)(c1ccc(Cl)c(F)c1)c1ccc(Cl)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.34
PDPK1 O15530 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
CHRM3 P20309 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
POLB P06746 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
KCNH2 Q12809 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
CHRM4 P08173 1/20 0.32

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 SCHEMBL7086475 0.97 PPARG (0.34) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL7085713 0.91 NPC1 (0.41) MEN1KMT2AALDH1A1PDPK1NPC1
SCHEMBL543310 0.90 KCNN4 (0.40) PPARAMEN1KMT2AALDH1A1PDPK1
SCHEMBL7082177 0.90 PDPK1 (0.41) MEN1KMT2AALDH1A1PDPK1NPC1
Bromomethane SCHEMBL7085461 0.88 NPC1 (0.39) MEN1KMT2AALDH1A1PDPK1NPC1
Bromomethane SCHEMBL7084864 0.86 PDPK1 (0.39) MEN1KMT2AALDH1A1PDPK1NPC1
Bromomethane SCHEMBL119398 0.86 KCNN4 (0.38) PPARAMEN1KMT2AALDH1A1PDPK1
SCHEMBL14142466 0.86 CHRM3 (0.34) MEN1KMT2AALDH1A1PDPK1CHRM3
SCHEMBL7085988 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1PDPK1NPC1
SCHEMBL931372 0.83 CHRM2 (0.39) MEN1KMT2AALDH1A1PDPK1NPC1

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 3 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-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
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