SCHEMBL9220946

SCHEMBL9220946

CC[C@H](C)[C@H](NC(=O)CC(=O)C(N)CC1CCCCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CPB2 Q96IY4 5/20 0.44
LTA4H P09960 1/20 0.43
XIAP P98170 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 2/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
ENPEP Q07075 2/20 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
SCHEMBL7326171 0.90 CPB2 (0.40) L3MBTL1ALDH1A1CPB2LTA4HKMT2A
SCHEMBL296883 0.80 L3MBTL1 (0.54) L3MBTL1ALDH1A1CPB2LTA4HXIAP
SCHEMBL7354261 0.78 METAP2 (0.53) L3MBTL1ALDH1A1CPB2LTA4HMEN1
Hydrochloric Acid SCHEMBL7361712 0.77 METAP2 (0.52) L3MBTL1ALDH1A1CPB2LTA4HMEN1
SCHEMBL31253362 0.76 CPB2 (0.55) CPB2
SCHEMBL30311012 0.74 FNTA (0.49) CPB2FNTAFNTBPGGT1BENPEP
SCHEMBL6137920 0.72 GRIN2D (0.43)
SCHEMBL17792791 0.71 METAP2 (0.42) ALDH1A1KMT2AENPEP
SCHEMBL8829934 0.71 L3MBTL1 (0.56) L3MBTL1ALDH1A1XIAPMEN1KMT2A
SCHEMBL9829897 0.71 L3MBTL1 (0.56) L3MBTL1ALDH1A1XIAPMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US disclosed
CN-1037155-A Amino acid derivative MERCK PATENT GMBH (DE) 1989-11-15 CN disclosed