SCHEMBL7086739

SCHEMBL7086739

O=C(OCC(=CO)c1ccccc1)C(O)(c1ccc(F)cc1F)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.40
PDPK1 O15530 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
PPARA Q07869 1/20 0.33
HDAC1 Q13547 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
HTT P42858 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
GAA P10253 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31

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 SCHEMBL7085054 0.97 KCNN4 (0.38) KCNN4PDPK1SMN1; SMN2MAPTPPARA
SCHEMBL14142578 0.91 MRGPRX4 (0.34) KCNN4PDPK1SMN1; SMN2MAPTPPARA
Bromomethane SCHEMBL7086469 0.87 PDPK1 (0.34) KCNN4PDPK1SMN1; SMN2MAPTHDAC1
SCHEMBL931372 0.83 CHRM2 (0.39) KCNN4PDPK1SMN1; SMN2ALDH1A1KCNK3
SCHEMBL3911903 0.82 KCNN4 (0.41) KCNN4SMN1; SMN2MAPTALDH1A1HTT
SCHEMBL7086017 0.82 POLB (0.33) KCNN4PDPK1SMN1; SMN2MAPTHDAC1
SCHEMBL7081056 0.81 MEN1 (0.36) KCNN4PDPK1SMN1; SMN2MAPTALDH1A1
SCHEMBL2027045 0.81 PDPK1 (0.32) PDPK1SMN1; SMN2MAPTPPARAKCNK3
SCHEMBL14142466 0.81 CHRM3 (0.34) KCNN4PDPK1HDAC1ALDH1A1GAA
Bromomethane SCHEMBL118164 0.80 CHRM2 (0.39) KCNN4SMN1; SMN2PPARAALDH1A1KCNK3

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