SCHEMBL19741547

SCHEMBL19741547

CN([C@H](CC(=O)O)C(=O)O)N(C)[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FOLH1 Q04609 2/20 0.36
MAPT P10636 1/20 0.34
GABRR1 P24046 2/20 0.33
LMNA P02545 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
CYP1A2 P05177 1/20 0.32
FFAR3 O14843 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
SCHEMBL7536347 0.84 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6ALDH1A1GAA
SCHEMBL196268 0.84 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6ALDH1A1GAA
SCHEMBL196267 0.84 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6ALDH1A1GAA
SCHEMBL6006627 0.84 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6ALDH1A1GAA
Hydrochloric Acid SCHEMBL2186107 0.82 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6ALDH1A1GAA
Hydrochloric Acid SCHEMBL8968540 0.82 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6ALDH1A1GAA
Hydrochloric Acid SCHEMBL10337417 0.82 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6ALDH1A1GAA
SCHEMBL14505475 0.80 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6ALDH1A1GAA
SCHEMBL2353656 0.80 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6ALDH1A1GAA
SCHEMBL10802747 0.80 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10869955-B2 Joint fat pad formulations, and methods of use thereof ALLERGAN, INC. (US) 2020-12-22 US disclosed
US-20170368236-A1 JOINT FAT PAD FORMULATIONS, AND METHODS OF USE THEREOF ALLERGAN INC (US) 2017-12-28 US disclosed
CN-100430416-C New alpha - conantokins, coded polynucleotide and application UNIV HAINAN (CN) 2008-11-05 CN disclosed
CN-1796414-A New alpha - conantokins, coded polynucleotide and application UNIV HAINAN (CN) 2006-07-05 CN disclosed