SCHEMBL6329537

SCHEMBL6329537

CC(C)(C)OC(=O)CC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.57
CTSL P07711 5/20 0.57
CTSS P25774 4/20 0.57
CTSB P07858 4/20 0.57
ACE P12821 1/20 0.57
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 1/20 0.56
TACR1 P25103 2/20 0.55
SYK P43405 1/20 0.55
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
CTRB1 P17538 1/20 0.51

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
SCHEMBL19704254 0.90 ACE (0.63) CTSKCTSLCTSSCTSBACE
SCHEMBL6332454 0.90 ACE (0.68) CTSKCTSLCTSSCTSBACE
SCHEMBL6332622 0.88 ACE (0.57) CTSKCTSLCTSSCTSBACE
SCHEMBL28355708 0.87 ALDH1A1 (0.64) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL9219338 0.87 CTSK (0.62) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL19485480 0.87 CTSK (0.62) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL6332624 0.85 CASP1 (0.54) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL6331074 0.85 TACR1 (0.60) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL6791504 0.84 SYK (0.56) CTSKCTSLCTSSCTSBSYK
SCHEMBL9832078 0.84 ACE (0.67) CTSKCTSLCTSSCTSBACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38796-E1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO CO.,INC. (JP) 2005-09-13 US disclosed
EP-0774453-B1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO KK (JP) 2002-02-06 EP disclosed
EP-1097919-A2 Process for producing 4-amino-3-oxo-butanoic acid ester Ajinomoto Co., Inc. (JP) 2001-05-09 EP disclosed
US-5902887-A Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO CO., INC. (JP) 1999-05-11 US disclosed
US-5767316-A REACTING PROTECTED AMINO ACID WITH ALKALI METAL ENOLATE OF ACETATE, HALOGENATING, HYDROLYZING, DECARBOXYLATING AJINOMOTO CO., INC. (JP) 1998-06-16 US disclosed
EP-0774453-A1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives Ajinomoto Co., Inc. (JP) 1997-05-21 EP disclosed