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Sugi Predict / Compounds / SCHEMBL30775449

SCHEMBL30775449

SCHEMBL30775449

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.58
▸ F2 P00734 4/20 0.53
▸ EP300 Q09472 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ IL23R Q5VWK5 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ NPY2R P49146 5/20 0.51
▸ NPY4R P50391 5/20 0.51
▸ NPY5R Q15761 5/20 0.51
▸ NPY1R P25929 3/20 0.51
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50

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
SCHEMBL30887979 0.88 CALCR (0.65) CALCREP300HIF1AOPRM1OPRD1
SCHEMBL30429242 0.86 CALCR (0.63) CALCRF2EP300HIF1ANPY2R
SCHEMBL31388215 0.86 KEAP1 (0.59) CALCREP300HIF1AOPRD1MAPK8
SCHEMBL30831411 0.85 CALCR (0.63) CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31388213 0.84 KEAP1 (0.57) CALCROPRM1OPRD1MAPK8MAPK9
SCHEMBL30277935 0.84 CALCR (0.61) CALCRF2EP300HIF1A
SCHEMBL30304511 0.83 CALCR (0.69) CALCROPRD1NPY2RNPY4RNPY5R
SCHEMBL30906521 0.83 CALCR (0.59) CALCRF2EP300HIF1ANPY2R
SCHEMBL30163225 0.83 KEAP1 (0.54) CALCRF2IL23ROPRM1OPRD1
SCHEMBL16352049 0.83 KEAP1 (0.54) CALCRF2IL23ROPRM1OPRD1

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-117582378-A Peptide compositions for protecting and maintaining mitochondria and their functions 主流源生物科技(上海)有限公司 2024-02-23 — — CN claimed
CN-117582378-A Peptide compositions for protecting and maintaining mitochondria and their functions 主流源生物科技(上海)有限公司 2024-02-23 — — CN disclosed
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