SCHEMBL8961847

SCHEMBL8961847

NCC(CC(=O)O)NCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
GABRR1 P24046 2/20 0.41
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
GABBR2 O75899 4/20 0.33
GABBR1 Q9UBS5 4/20 0.33
ALDH1A1 P00352 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C9 P11712 2/20 0.31
GLRA1 P23415 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
SCHEMBL3840956 0.85 GABRR1 (0.43) LMNAGABRR1CACNA2D1CACNB3CACNA1C
SCHEMBL5163825 0.80 ANPEP (0.40) LMNAMEN1KMT2AMAPTNFKB1
SCHEMBL18281187 0.79
SCHEMBL1766228 0.78 LMNA (0.44) LMNAGABRR1CACNA2D1CACNB3CACNA1C
Acetic Acid SCHEMBL7158384 0.76 LMNA (0.43) LMNAADRA1ATDP1
SCHEMBL4917915 0.75 LMNA (0.41) LMNAGABRR1CACNA2D1CACNB3CACNA1C
SCHEMBL1644075 0.72 GABRR1 (0.39) LMNAGABRR1CACNA2D1CACNB3CACNA1C
SCHEMBL3726813 0.71
SCHEMBL9295335 0.71 ALDH1A1 (0.32) LMNAADRA1AALDH1A1TDP1TSHR
SCHEMBL5144359 0.71 GABRR1 (0.32) LMNAGABRR1ALDH1A1SLC22A6MEN1

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
US-5578642-A ESTERIFICATION OF AZELAIC ACID WITH A FATTY ALCOHOL HENKEL CORPORATION (US) 1996-11-26 US disclosed