SCHEMBL11074282

SCHEMBL11074282

CC(C)(C)C(=O)OCOC(=O)C(Cc1ccc(-c2ccccc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.42
CTSK P43235 2/20 0.42
MME P08473 10/20 0.42
ACE P12821 8/20 0.41
ACE2 Q9BYF1 7/20 0.41
CPA1 P15085 6/20 0.40
SHMT1 P34896 1/20 0.38
SHMT2 P34897 1/20 0.38
MMEL1 Q495T6 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37

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
SCHEMBL10449998 0.96 CTSL (0.40) CTSSCTSKACECTSLCTSB
SCHEMBL7377272 0.87 MME (0.56) MMEACEACE2CPA1
SCHEMBL10647675 0.86 CTSL (0.39) CTSSCTSKACECTSLCTSB
SCHEMBL11074641 0.84 MME (0.48) MMEACEACE2CPA1MMEL1
SCHEMBL10647590 0.84 MME (0.48) MMEACEACE2CPA1MMEL1
SCHEMBL10650875 0.84 ALDH1A1 (0.39) CTSSCTSKCTSLCTSB
SCHEMBL7374304 0.84 MMEL1 (0.51) MMEACEMMEL1
SCHEMBL7373720 0.84 MMEL1 (0.51) MMEACEMMEL1
SCHEMBL10713161 0.84 L3MBTL1 (0.43) CTSSCTSKMMEACEACE2
SCHEMBL11072416 0.83 MME (0.42) CTSSCTSKMMEACEACE2

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-0103077-A2 Substituted dipeptides, methods for their production, pharmaceutical compositions containing them, method for making such pharmaceutical compositions SCHERING CORPORATION (US) 1984-03-21 EP claimed