SCHEMBL30050875

SCHEMBL30050875

NCCNCCNC(=O)C[C@H](N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.41
▸ GSR P00390 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA6 P23280 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ CA5B Q9Y2D0 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SLC1A3 P43003 2/20 0.37

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
SCHEMBL1768730 0.89 OTC (0.42) OTCGSRSLC1A3SLC1A2SLC1A1
SCHEMBL1768732 0.89 OTC (0.42) OTCGSRSLC1A3SLC1A2SLC1A1
SCHEMBL16151107 0.86 CA5B (0.39) OTCLMNATDP1CA12CA6
SCHEMBL1768892 0.85 GSR (0.48) OTCGSRSLC1A3SLC1A2SLC1A1
SCHEMBL1768889 0.85 GSR (0.48) OTCGSRSLC1A3SLC1A2SLC1A1
SCHEMBL17451658 0.84 GSR (0.52) OTCGSRALDH1A1SLC1A3SLC1A2
Aspartic Acid SCHEMBL28871434 0.81 GSR (0.47) GSRLMNATDP1CA12CA6
SCHEMBL12556856 0.79 DPP7 (0.36) LMNATDP1CA12CA6CA7
SCHEMBL22596633 0.79 DPP7 (0.42) GRM1
SCHEMBL24779309 0.79 CA5B (0.39) LMNATDP1CA12CA6CA7

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
CN-109803687-B Antibody-mediated autocatalytic targeted delivery of nanocarriers to tumors 耶鲁大学 2022-11-15 — — CN disclosed
Send feedback