SCHEMBL8729434

SCHEMBL8729434

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.36
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
GNPAT O15228 1/20 0.34
BMP1 P13497 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ANPEP P15144 1/20 0.33
ENPEP Q07075 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
SCHEMBL14490960 1.00 SLC22A6 (0.36) SLC22A6GABRR1LMNATDP1CACNA2D1
SCHEMBL16348723 1.00 SLC22A6 (0.36) SLC22A6GABRR1LMNATDP1CACNA2D1
Aspartic Acid SCHEMBL8453220 0.88 SLC7A5 (0.41)
SCHEMBL13402943 0.84 GNPAT (0.45) GNPATBMP1ENPEP
SCHEMBL13402957 0.84 GNPAT (0.45) GNPATBMP1ENPEP
SCHEMBL24915343 0.83 ECE1 (0.44) CA2
SCHEMBL992850 0.83 ECE1 (0.44) CA2
SCHEMBL992852 0.83 ECE1 (0.44) CA2
SCHEMBL8228271 0.83 SLC22A6 (0.38) SLC22A6TDP1CA2CA4GNPAT
SCHEMBL8368760 0.83 SLC22A6 (0.38) SLC22A6TDP1CA2CA4GNPAT

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-0831066-A1 Biodegradable Aspartic acid polymers for preventing scale formation in boilers NALCO CHEMICAL COMPANY (US) 1998-03-25 EP claimed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 WO disclosed
US-20190309171-A1 MULTIMERIC PROTECTED FLUORESCENT REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2019-10-10 US disclosed