SCHEMBL30638151

SCHEMBL30638151

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.48
NMT1 P30419 1/20 0.48
KEAP1 Q14145 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
FOLH1 Q04609 3/20 0.41
BACE1 P56817 6/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
CTSD P07339 1/20 0.41
MME P08473 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
TFPI P10646 1/20 0.40

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
SCHEMBL29541660 0.94 NMT2 (0.46) NMT2NMT1KEAP1GRIN2DGRIN3B
SCHEMBL30940023 0.94 NMT2 (0.46) NMT2NMT1KEAP1GRIN2DGRIN3B
SCHEMBL29367177 0.94 NMT2 (0.46) NMT2NMT1KEAP1GRIN2DGRIN3B
SCHEMBL30930138 0.93 NMT1 (0.50) NMT2NMT1KEAP1GRIN2DGRIN3B
SCHEMBL30930180 0.90 NMT1 (0.51) NMT2NMT1MMEOPRM1OPRD1
SCHEMBL30973983 0.89 NMT1 (0.49) NMT2NMT1KEAP1GRIN2DGRIN3B
Trifluoroacetic Acid SCHEMBL30645080 0.89 KEAP1 (0.43) NMT2NMT1KEAP1GRIN2DGRIN3B
SCHEMBL29655322 0.88 FOLH1 (0.52) NMT2NMT1FOLH1
SCHEMBL989243 0.87 FOLH1 (0.51) FOLH1BACE1BACE2CTSD
SCHEMBL989241 0.87 FOLH1 (0.51) FOLH1BACE1BACE2CTSD

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-116655734-A Method for modifying umami peptide 大连工业大学 2023-08-29 CN disclosed