SCHEMBL10992195

SCHEMBL10992195

O=CC[C@@H](CC(=O)O)N(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
ABCB1 P08183 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
CASP1 P29466 1/20 0.36

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
SCHEMBL10992949 0.89 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL7720033 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL10984780 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL8764783 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL8764792 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL12927894 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL16564957 0.77 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL16553791 0.77 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL6448629 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL5962184 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAPOLBHSD17B10

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-4506085-A AMINATION, INTERMEDIATE FOR ANTIBIOTICS SANRAKU-OCEAN CO., LTD. (JP) 1985-03-19 US disclosed