SCHEMBL8429528

SCHEMBL8429528

NCCC[C@](N)(C(N)=O)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
LTA4H P09960 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL8427346 0.96 ALDH1A1 (0.41) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL27618465 0.94 ALDH1A1 (0.41) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL10855143 0.90 SMN1; SMN2 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL10855149 0.90 SMN1; SMN2 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27484782 0.90 SMN1; SMN2 (0.47) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL31300266 0.87 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL1167641 0.86 SMN1; SMN2 (0.46) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL1167642 0.86 SMN1; SMN2 (0.46) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL28083987 0.82 SMN1; SMN2 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL28083986 0.82 SMN1; SMN2 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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-5994317-A DRUG DELIVERY; INSERTION MATERIAL INTO CELL VICAL INCORPORATED (US) 1999-11-30 US disclosed