SCHEMBL9828632

SCHEMBL9828632

CCCC(=O)N[C@@H](CCSCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.50
HDAC2 Q92769 1/20 0.47
FNTA P49354 4/20 0.44
FNTB P49356 4/20 0.44
SLC6A5 Q9Y345 1/20 0.41
GNPAT O15228 1/20 0.41
PGGT1B P53609 1/20 0.40
TSHR P16473 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
SCHEMBL4953340 1.00 NOD1 (0.50) NOD1HDAC2FNTAFNTBSLC6A5
SCHEMBL4951961 0.90 NOD1 (0.50) NOD1HDAC2FNTAFNTBSLC6A5
SCHEMBL4955334 0.87 NOD1 (0.55) NOD1HDAC2FNTAFNTBSLC6A5
SCHEMBL4952063 0.86 HDAC2 (0.43) NOD1HDAC2FNTAFNTBPGGT1B
SCHEMBL4956223 0.85 HDAC2 (0.42) NOD1HDAC2FNTAFNTBPGGT1B
SCHEMBL302152 0.85 FNTA (0.58) NOD1HDAC2FNTAFNTBPGGT1B
SCHEMBL302151 0.85 FNTA (0.58) NOD1HDAC2FNTAFNTBPGGT1B
SCHEMBL19506439 0.83 HDAC2 (0.41) NOD1HDAC2FNTAFNTBPGGT1B
SCHEMBL7636751 0.83 FNTA (0.56) NOD1HDAC2FNTAFNTBPGGT1B
SCHEMBL7636762 0.83 FNTA (0.56) NOD1HDAC2FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed