SCHEMBL6244686

SCHEMBL6244686

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.34
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNN4 O15554 3/20 0.34
CHRM4 P08173 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
PDPK1 O15530 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 SCHEMBL931692 0.97 CHRM2 (0.35) CHRM3CHRM2CHRM1POLBMEN1
SCHEMBL7086017 0.94 POLB (0.33) POLBMEN1KMT2AKCNN4ALDH1A1
Bromomethane SCHEMBL7085436 0.91 PDPK1 (0.32) CHRM3CHRM2CHRM1POLBMEN1
SCHEMBL14142466 0.81 CHRM3 (0.34) CHRM3CHRM2CHRM1POLBMEN1
SCHEMBL931372 0.81 CHRM2 (0.39) CHRM3CHRM2CHRM1POLBMEN1
SCHEMBL3911903 0.80 KCNN4 (0.41) CHRM3CHRM2CHRM1POLBMEN1
SCHEMBL14142347 0.78 PDPK1 (0.46) CHRM3CHRM2CHRM1POLBMEN1
SCHEMBL543310 0.78 KCNN4 (0.40) CHRM3CHRM2CHRM1POLBMEN1
Bromomethane SCHEMBL118164 0.78 CHRM2 (0.39) CHRM3CHRM2CHRM1POLBMEN1
SCHEMBL14142417 0.78 LMNA (0.45) CHRM3MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551792-A1 NOVEL BETA MIMETICS WITH EXTENDED DURATION OF ACTION, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-07-13 EP disclosed
WO-2004033412-A1 NOVEL BETA MIMETICS WITH EXTENDED DURATION OF ACTION, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 WO disclosed