SCHEMBL1913626

SCHEMBL1913626

CC(NC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
ATM Q13315 2/20 0.54
MAPT P10636 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CTSB P07858 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL18171808 0.90 MAPT (0.60) ALDH1A1ATMMAPTL3MBTL1TDP1
SCHEMBL26239298 0.88 ALDH1A1 (0.58) ALDH1A1ATMMAPTL3MBTL1TDP1
SCHEMBL29587852 0.88 ALDH1A1 (0.58) ALDH1A1ATMMAPTL3MBTL1TDP1
SCHEMBL15080869 0.88 CTSK (0.61) ATMCTSB
SCHEMBL30946598 0.88 CTSK (0.61) ATMCTSB
SCHEMBL6897142 0.87 CTSK (0.54) ATMCTSB
SCHEMBL23056471 0.87 MAPT (0.54) ALDH1A1ATMMAPTL3MBTL1TDP1
SCHEMBL22692566 0.86 ALDH1A1 (0.58) ALDH1A1ATMMAPTL3MBTL1TDP1
SCHEMBL10099537 0.85 GAA (0.52) ALDH1A1ATMMAPTL3MBTL1TDP1
SCHEMBL29233276 0.85 ATM (0.51) ALDH1A1ATMMAPTL3MBTL1TDP1

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
WO-2011069149-A2 CATHEPSIN S INHIBITORS DCB-USA LLC (US) 2011-06-09 WO disclosed