SCHEMBL7081055

SCHEMBL7081055

O=C(OCC(=CO)c1ccccc1)C(O)(c1ccccc1Cl)c1ccccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
PDPK1 O15530 3/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
CHRM3 P20309 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
KIF11 P52732 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 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 SCHEMBL7088066 0.96 HTR2A (0.33) L3MBTL1ALDH1A1LMNAMAPTTDP1
SCHEMBL7085988 0.82 MEN1 (0.43) L3MBTL1ALDH1A1LMNAMAPTPDPK1
SCHEMBL7082177 0.81 PDPK1 (0.41) ALDH1A1LMNAMAPTPDPK1HPGD
SCHEMBL7086017 0.81 POLB (0.33) ALDH1A1LMNAMAPTTDP1PDPK1
Bromomethane SCHEMBL7081929 0.79 KMT2A (0.44) L3MBTL1ALDH1A1MAPTPDPK1HPGD
SCHEMBL6554256 0.79 ERCC5 (0.38) ALDH1A1PDPK1NPC1RAB9ACHRM3
Bromomethane SCHEMBL7085436 0.78 PDPK1 (0.32) MAPTPDPK1CHRM3KMT2AMEN1
Bromomethane SCHEMBL7084864 0.78 PDPK1 (0.39) ALDH1A1LMNAMAPTPDPK1HPGD
SCHEMBL7085713 0.78 NPC1 (0.41) ALDH1A1LMNAMAPTPDPK1HPGD
SCHEMBL7086476 0.78 PPARG (0.36) ALDH1A1PDPK1NPC1RAB9ACHRM3

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