SCHEMBL31073604

SCHEMBL31073604

CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.55
PDCD1LG2 Q9BQ51 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
ECE1 P42892 2/20 0.47
BACE1 P56817 6/20 0.45
CTSD P07339 2/20 0.45
SLC7A5 Q01650 1/20 0.43
TGFBR1 P36897 1/20 0.42
MMP8 P22894 1/20 0.41

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
SCHEMBL29447329 0.93 ECE1 (0.54) MMEPDCD1LG2CD274ECE1BACE1
SCHEMBL29483748 0.91 MME (0.55) MMEPDCD1LG2CD274ECE1BACE1
SCHEMBL29378429 0.91 MME (0.55) MMEPDCD1LG2CD274ECE1BACE1
SCHEMBL29413064 0.90 MME (0.64) MMEBACE1SLC7A5
SCHEMBL29640269 0.90 ECE1 (0.56) MMEPDCD1LG2CD274ECE1BACE1
SCHEMBL30390247 0.90 TGFBR1 (0.49) MMEPDCD1LG2CD274ECE1BACE1
SCHEMBL30123121 0.90 MME (0.58) MMESLC7A5TGFBR1
SCHEMBL8945299 0.89 MME (0.61) MMESLC7A5TGFBR1
SCHEMBL8945304 0.89 MME (0.61) MMESLC7A5TGFBR1
SCHEMBL30600472 0.89 MME (0.61) MMESLC7A5TGFBR1

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-118777592-A Colloidal gold test strip for detecting anti-PLA 2R antibody, preparation method thereof, kit and application 江南大学 2024-10-15 CN disclosed