SCHEMBL28032350

SCHEMBL28032350

CCCCCCCCCCCCCCCCNC(CCSC)C(=O)O.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.50
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
PGGT1B P53609 1/20 0.41
LMNA P02545 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
FOLH1 Q04609 2/20 0.40
SLC10A1 Q14973 1/20 0.40
GPR84 Q9NQS5 3/20 0.40
RNPEP Q9H4A4 1/20 0.40
FFAR1 O14842 1/20 0.40
MAPT P10636 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
SCHEMBL28031792 1.00 NOD1 (0.50) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL462399 0.98 NOD1 (0.48) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL5087526 0.98 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL7765499 0.98 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL9341319 0.98 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL25411986 0.98 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL9341321 0.98 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL5087530 0.98 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL7765496 0.98 NOD1 (0.51) NOD1FNTAFNTBPGGT1BLMNA
SCHEMBL303333 0.97 NOD1 (0.49) NOD1FNTAFNTBPGGT1BLMNA

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
CN-104955472-A Fatty acid acylated amino acids for growth hormone delivery NOVO NORDISK HEALTHCARE AG 2015-09-30 CN disclosed