SCHEMBL7257544

SCHEMBL7257544

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.50
ACE P12821 5/20 0.50
CPA1 P15085 5/20 0.50
ACE2 Q9BYF1 5/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GNPAT O15228 1/20 0.46

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
SCHEMBL7898943 0.93 NOD2 (0.49) MMEHDAC3HDAC4HDAC1HDAC2
SCHEMBL236628 0.88 MME (0.55) MMEACECPA1ACE2L3MBTL1
SCHEMBL29755521 0.85 ACE (0.55) MMEACECPA1ACE2HDAC3
SCHEMBL7257453 0.85 MME (0.55) MMEACECPA1ACE2HDAC3
SCHEMBL2980529 0.83 NAALAD2 (0.68) MMEACECPA1ACE2NAALAD2
SCHEMBL3748615 0.83 NAALAD2 (0.68) MMEACECPA1ACE2NAALAD2
SCHEMBL29602993 0.83 NAALAD2 (0.68) MMEACECPA1ACE2NAALAD2
SCHEMBL3732243 0.83 NAALAD2 (0.68) MMEACECPA1ACE2NAALAD2
SCHEMBL27914476 0.83 NAALAD2 (0.68) MMEACECPA1ACE2NAALAD2
SCHEMBL5971011 0.83 MME (0.52) MMEACECPA1ACE2HDAC3

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
EP-0728018-B1 New enzymes and prodrugs for ADEPT WELLCOME FOUND (GB) 2003-08-06 EP disclosed