Sugi Predict

Sugi Predict / Compounds / SCHEMBL30437207

SCHEMBL30437207

SCHEMBL30437207

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.61
▸ NPY2R P49146 9/20 0.59
▸ NPY4R P50391 8/20 0.59
▸ NPY5R Q15761 8/20 0.59
▸ NPY1R P25929 7/20 0.59
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ HCRTR1 O43613 1/20 0.56
▸ HCRTR2 O43614 1/20 0.56
▸ CRHR1 P34998 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ CXCR4 P61073 1/20 0.52
▸ KEAP1 Q14145 1/20 0.51

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
SCHEMBL31182798 0.92 CALCR (0.64) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30862323 0.90 NPY2R (0.60) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607467 0.89 CALCR (0.64) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29416782 0.89 CALCR (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567772 0.88 CALCR (0.74) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30906477 0.87 CALCR (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29868039 0.87 CALCR (0.70) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31012330 0.86 NPY2R (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30431763 0.86 CALCR (0.59) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29728671 0.86 CALCR (0.60) CALCRMAPK8MAPK9MAPK10HCRTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116103323-B Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2024-10-22 — — CN disclosed
CN-116103323-A Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2023-05-12 — — CN disclosed
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