SCHEMBL7599743

SCHEMBL7599743

CC(C)CC(N[C@@H](Cc1ccc(-c2ccsc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.50
ACE P12821 5/20 0.50
ACE2 Q9BYF1 4/20 0.50
CPA1 P15085 3/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
FOLH1 Q04609 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
ECE1 P42892 1/20 0.44

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
SCHEMBL5869455 1.00 MME (0.50) MMEACEACE2CPA1CTSL
SCHEMBL5869476 1.00 MME (0.50) MMEACEACE2CPA1CTSL
SCHEMBL5869466 1.00 MME (0.50) MMEACEACE2CPA1CTSL
SCHEMBL5869134 0.87 FOLH1 (0.49) MMEACEACE2CPA1CTSL
SCHEMBL5869128 0.87 FOLH1 (0.49) MMEACEACE2CPA1CTSL
SCHEMBL5869139 0.87 FOLH1 (0.49) MMEACEACE2CPA1CTSL
SCHEMBL8248574 0.85 MME (0.65) MMEACEACE2CPA1FOLH1
SCHEMBL5870071 0.83 ACE2 (0.53) MMEACEACE2CPA1CTSL
SCHEMBL5870067 0.83 ACE2 (0.53) MMEACEACE2CPA1CTSL
SCHEMBL5870063 0.83 ACE2 (0.53) MMEACEACE2CPA1CTSL

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed