SCHEMBL7086017

SCHEMBL7086017

O=C(OCC(=CO)c1ccccc1)C(O)(c1cccc(F)c1F)c1cccc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
PDPK1 O15530 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
KCNN4 O15554 2/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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 SCHEMBL7085436 0.96 PDPK1 (0.32) POLBMAPTPDPK1MRGPRX4NPSR1
SCHEMBL6244686 0.94 CHRM3 (0.34) POLBMAPTPDPK1MRGPRX4NPSR1
Bromomethane SCHEMBL931692 0.91 CHRM2 (0.35) POLBPDPK1NPSR1ALDH1A1KCNN4
SCHEMBL14142578 0.82 MRGPRX4 (0.34) POLBMAPTPDPK1MRGPRX4NPSR1
SCHEMBL7086739 0.82 KCNN4 (0.40) MAPTPDPK1MRGPRX4NPSR1ALDH1A1
SCHEMBL14142466 0.81 CHRM3 (0.34) POLBPDPK1NPSR1ALDH1A1LMNA
SCHEMBL7081055 0.81 L3MBTL1 (0.34) POLBMAPTPDPK1ALDH1A1HPGD
Bromomethane SCHEMBL7085054 0.79 KCNN4 (0.38) POLBMAPTPDPK1MRGPRX4NPSR1
Bromomethane SCHEMBL7086469 0.79 PDPK1 (0.34) POLBMAPTPDPK1MRGPRX4NPSR1
SCHEMBL931372 0.79 CHRM2 (0.39) POLBPDPK1ALDH1A1NPC1RAB9A

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