SCHEMBL9400601

SCHEMBL9400601

CSCC[C@H](NC(=O)C(C)N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.50
FNTB P49356 4/20 0.50
PGGT1B P53609 2/20 0.50
LMNA P02545 1/20 0.50
FOLH1 Q04609 1/20 0.49
CA2 P00918 2/20 0.48
NOD1 Q9Y239 1/20 0.48
CA1 P00915 1/20 0.48
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1859748 1.00 FNTA (0.50) FNTAFNTBPGGT1BLMNAFOLH1
SCHEMBL1861162 1.00 FNTA (0.50) FNTAFNTBPGGT1BLMNAFOLH1
SCHEMBL3101246 1.00 FNTA (0.50) FNTAFNTBPGGT1BLMNAFOLH1
SCHEMBL30051578 0.97 FNTA (0.48) FNTAFNTBPGGT1BLMNAFOLH1
SCHEMBL31331637 0.94 FNTA (0.46) FNTAFNTBPGGT1BLMNAFOLH1
SCHEMBL29588273 0.94 FNTA (0.46) FNTAFNTBPGGT1BLMNAFOLH1
SCHEMBL29630687 0.91 GNPAT (0.50) FNTAFNTBPGGT1BLMNAFOLH1
SCHEMBL30011225 0.91 FNTA (0.44) FNTAFNTBPGGT1BLMNAFOLH1
SCHEMBL29536211 0.91 GNPAT (0.50) FNTAFNTBPGGT1BLMNAFOLH1
SCHEMBL30052040 0.91 FOLH1 (0.56) FNTAFNTBPGGT1BLMNAFOLH1

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
US-5374551-A Measurement of metabolism of alpha-methyl glucoside BIOLOG, INC. (US) 1994-12-20 US claimed