SCHEMBL9052239

SCHEMBL9052239

CC(N)C(=O)NC(CCS)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.50
NOD1 Q9Y239 1/20 0.50
MME P08473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
FOLH1 Q04609 3/20 0.40
PAX8 Q06710 1/20 0.39
GNPAT O15228 1/20 0.39
ECE1 P42892 1/20 0.38

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
SCHEMBL9053775 1.00 ACE (0.50) ACENOD1MMEKDM4EMAPT
SCHEMBL9052241 1.00 ACE (0.50) ACENOD1MMEKDM4EMAPT
SCHEMBL30663369 1.00 ACE (0.50) ACENOD1MMEKDM4EMAPT
SCHEMBL30885617 1.00 ACE (0.50) ACENOD1MMEKDM4EMAPT
SCHEMBL29511093 0.85 ACE (0.69) ACENOD1MMEKDM4EMAPT
SCHEMBL29476622 0.85 ACE (0.69) ACENOD1MMEKDM4EMAPT
SCHEMBL2544386 0.85 ACE (0.69) ACENOD1MMEKDM4EMAPT
SCHEMBL29516656 0.85 ACE (0.69) ACENOD1MMEKDM4EMAPT
SCHEMBL2544384 0.85 ACE (0.69) ACENOD1MMEKDM4EMAPT
SCHEMBL28303549 0.85 ACE (0.69) ACENOD1MMEKDM4EMAPT

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-1996040746-A1 LYSYLOXIDASE INHIBITORS TRUSTEES OF BOSTON UNIVERSITY (US) 1996-12-19 WO claimed