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Sugi Predict / Compounds / SCHEMBL29649219

SCHEMBL29649219

SCHEMBL29649219

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 10/20 0.63
▸ ECE1 P42892 1/20 0.63
▸ MUS81 Q96NY9 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.61
▸ PTH1R Q03431 7/20 0.61
▸ KEAP1 Q14145 2/20 0.60

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
SCHEMBL30445030 0.93 RXFP1 (0.58) GLP1RECE1MUS81RXFP1PTH1R
SCHEMBL30726576 0.93 GLP1R (0.69) GLP1RECE1MUS81RXFP1PTH1R
SCHEMBL31402804 0.90 GLP1R (0.71) GLP1RECE1MUS81PTH1R
SCHEMBL31547376 0.90 GLP1R (0.70) GLP1RECE1MUS81PTH1R
SCHEMBL29679246 0.89 IL23R (0.56) GLP1RECE1MUS81RXFP1PTH1R
SCHEMBL29678988 0.89 IL23R (0.56) GLP1RECE1MUS81RXFP1PTH1R
SCHEMBL29479845 0.88 GLP1R (0.69) GLP1RECE1MUS81RXFP1PTH1R
SCHEMBL29679739 0.87 GLP1R (0.65) GLP1RECE1MUS81RXFP1PTH1R
SCHEMBL29679527 0.86 MAPK8 (0.66) GLP1RECE1MUS81PTH1RKEAP1
SCHEMBL29443916 0.86 GLP1R (0.61) GLP1RECE1MUS81

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-112391327-B Engineering bacterium for co-production of geraniol and nerol and construction method and application thereof 中国农业科学院烟草研究所 2022-08-05 — — CN disclosed
CN-112391371-B Tobacco monoterpene synthetase TPS2b, and coding gene and application thereof 中国科学院青岛生物能源与过程研究所 2022-05-20 — — CN disclosed
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