SCHEMBL12655871

SCHEMBL12655871

CC[C@H](NC(=O)CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.56
NOD1 Q9Y239 3/20 0.46
FOLH1 Q04609 4/20 0.45
NAALAD2 Q9Y3Q0 2/20 0.45
RIMKLA Q8IXN7 1/20 0.45
PHF8 Q9UPP1 5/20 0.43
KDM2A Q9Y2K7 5/20 0.43
KDM4E B2RXH2 3/20 0.43
KDM5C P41229 3/20 0.43
EGLN1 Q9GZT9 2/20 0.43
KDM6B O15054 1/20 0.43
KDM7A Q6ZMT4 1/20 0.42
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL15680298 0.88 NOD1 (0.56) GNPATNOD1
SCHEMBL15625141 0.86 NOD1 (0.58) GNPATNOD1
SCHEMBL26453757 0.86 NOD1 (0.58) GNPATNOD1
SCHEMBL18250679 0.86 NOD1 (0.58) GNPATNOD1
SCHEMBL71288 0.86 NOD1 (0.58) GNPATNOD1
SCHEMBL12673504 0.86 NOD1 (0.58) GNPATNOD1
SCHEMBL14438871 0.86 NOD1 (0.58) GNPATNOD1
SCHEMBL15871528 0.86 NOD1 (0.58) GNPATNOD1
SCHEMBL21078551 0.86 NOD1 (0.45) GNPATNOD1FOLH1NAALAD2RIMKLA
SCHEMBL15623817 0.85 NOD1 (0.61) GNPATNOD1

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-2011060330-A1 USE OF ANTI-BACTERIAL AGENTS FOR THE TREATMENT OF EPITHELIAL-RELATED CONDITIONS SIGNUM BIOSCIENCES, INC. (US) 2011-05-19 WO disclosed