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SCHEMBL29867615

SCHEMBL29867615

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.62
▸ EP300 Q09472 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ CRHR1 P34998 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ F2 P00734 4/20 0.57
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ CALCRL Q16602 2/20 0.56
▸ NPY2R P49146 6/20 0.56
▸ NPY4R P50391 6/20 0.56
▸ NPY5R Q15761 6/20 0.56
▸ NPY1R P25929 4/20 0.56

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
SCHEMBL30431820 0.91 CALCR (0.60) CALCREP300HIF1AF2MAPK8
SCHEMBL30495733 0.90 EP300 (0.66) CALCREP300HIF1ACRHR1CRHR2
SCHEMBL30804645 0.90 CALCR (0.59) CALCREP300HIF1ACALCRLNPY2R
SCHEMBL31461982 0.89 CALCRL (0.56) CALCREP300HIF1ACRHR1CRHR2
SCHEMBL30576894 0.89 CALCR (0.69) CALCRCRHR1CRHR2F2NPY2R
SCHEMBL31182540 0.89 CALCR (0.68) CALCREP300HIF1ACRHR1CRHR2
SCHEMBL31462075 0.88 CALCR (0.54) CALCREP300HIF1AF2MAPK8
SCHEMBL30607467 0.88 CALCR (0.64) CALCRCRHR1CRHR2F2MAPK8
SCHEMBL31182729 0.88 CALCR (0.61) CALCREP300HIF1ACRHR1CRHR2
SCHEMBL29679496 0.88 CALCR (0.61) CALCRCRHR1CRHR2F2NPY2R

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-114921435-B Ornithine acetyltransferase mutant, encoding gene, plasmid, genetically engineered bacterium and application 南通紫琅生物医药科技有限公司 2023-08-29 — — CN disclosed
CN-114921435-A Ornithine acetyltransferase mutant, coding gene, plasmid, gene engineering bacterium and application 南通紫琅生物医药科技有限公司 2022-08-19 — — CN disclosed
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