SCHEMBL9852015

SCHEMBL9852015

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.53
MME P08473 6/20 0.46
ECE1 P42892 2/20 0.45
PDCD1LG2 Q9BQ51 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CA2 P00918 3/20 0.38
CA1 P00915 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
SCHEMBL9852018 1.00 TGFBR1 (0.53) TGFBR1MMEECE1PDCD1LG2CD274
SCHEMBL29826167 0.96 TGFBR1 (0.50) TGFBR1MMEECE1PDCD1LG2CD274
SCHEMBL30390247 0.95 TGFBR1 (0.49) TGFBR1MMEECE1PDCD1LG2CD274
SCHEMBL30010888 0.93 TGFBR1 (0.47) TGFBR1MMEECE1PDCD1LG2CD274
SCHEMBL30389257 0.92 MME (0.48) TGFBR1MMEECE1PDCD1LG2CD274
SCHEMBL29517650 0.92 MME (0.48) TGFBR1MMEECE1PDCD1LG2CD274
SCHEMBL30010357 0.91 ECE1 (0.49) TGFBR1MMEECE1PDCD1LG2CD274
SCHEMBL29963242 0.91 MME (0.46) TGFBR1MMEECE1PDCD1LG2CD274
SCHEMBL29867829 0.91 MME (0.47) TGFBR1MMEECE1PDCD1LG2CD274
SCHEMBL18075525 0.89 ECE1 (0.56) TGFBR1ECE1PDCD1LG2CD274CA2

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
EP-0457314-A1 Nutrient compositions containing peptides CLINTEC NUTRITION COMPANY (US) 1991-11-21 EP claimed