SCHEMBL4650592

SCHEMBL4650592

C=CC(=O)N(CO)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
TSHR P16473 2/20 0.33
ALOX15 P16050 2/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL6402606 0.90 LMNA (0.38) LMNATDP1EYA2APPACE
SCHEMBL224019 0.85
Water SCHEMBL11778100 0.82 ZDHHC20 (0.40) LMNATDP1TSHRZDHHC20ZDHHC2
SCHEMBL8533370 0.82 TSHR (0.36) LMNATDP1EYA2APPACE
SCHEMBL8018156 0.82 PSMB5 (0.40) LMNATDP1EYA2APPACE
SCHEMBL11349202 0.80 ZDHHC20 (0.43) LMNATSHRZDHHC20ZDHHC2
SCHEMBL441035 0.80 ZDHHC20 (0.35) LMNATSHRZDHHC20ZDHHC2
SCHEMBL17665957 0.79 ZDHHC20 (0.44) LMNATDP1EYA2APPACE
SCHEMBL17665963 0.77 RAB9A (0.30) GSTO1
SCHEMBL20314810 0.77 GSTO1 (0.30) GSTO1

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-1384766-B1 Remoistenable pre-applied adhesive NAT STARCH CHEM INVEST (US) 2008-09-17 EP claimed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 WO claimed