SCHEMBL19085523

SCHEMBL19085523

C=CC(CCN(C)C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
KMT2A Q03164 1/20 0.32
UTS2R Q9UKP6 3/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 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
SCHEMBL3751301 0.79 SLC6A3 (0.41) TSHRCYP2C19HTR2AHRH1SLC6A2
SCHEMBL22986071 0.79 CHRM2 (0.34) MEN1KMT2AUTS2R
SCHEMBL13681178 0.77
SCHEMBL29957730 0.76
SCHEMBL323329 0.76
SCHEMBL29958079 0.76
SCHEMBL28207855 0.74 SLC6A3 (0.46) TSHRCYP2C19HTR2AHRH1SLC6A2
SCHEMBL8011909 0.74 SLC1A3 (0.39) TSHRCYP2C19SLC6A2SLC6A4BLM
SCHEMBL4452846 0.73 GPR84 (0.37) TSHRCYP2C19SLC6A2SLC6A4BLM
SCHEMBL18833177 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017117528-A1 LIPIDS AND LIPID NANOPARTICLE FORMULATIONS FOR DELIVERY OF NUCLEIC ACIDS Acuitas Therapeutics, Inc. (CA) 2017-07-06 WO disclosed