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SCHEMBL29742992

SCHEMBL29742992

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.68
▸ GLP1R P43220 18/20 0.67
▸ ECE1 P42892 1/20 0.61
▸ MUS81 Q96NY9 1/20 0.61

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
SCHEMBL30423877 0.92 GLP1R (0.69) KEAP1GLP1R
SCHEMBL30358210 0.91 GLP1R (0.74) GLP1RECE1MUS81
SCHEMBL30518506 0.91 GLP1R (0.74) GLP1RECE1MUS81
SCHEMBL30358209 0.90 GLP1R (0.74) GLP1RECE1MUS81
SCHEMBL31182532 0.90 KEAP1 (0.62) KEAP1GLP1R
SCHEMBL31182893 0.90 PTH1R (0.67) KEAP1GLP1R
SCHEMBL30433096 0.89 GLP1R (0.71) GLP1R
SCHEMBL31140017 0.89 GLP1R (0.77) GLP1R
SCHEMBL30658269 0.89 CALCR (0.68) KEAP1GLP1R
SCHEMBL30804687 0.89 GLP1R (0.66) KEAP1GLP1R

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
US-11851664-B2 Methods for producing biochemicals using enzyme genes derived from a strain of Brevundimonas, and compositions made thereby Oakbio, Inc. (US) 2023-12-26 — — US disclosed
US-20220204979-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY ARCOLOGY INC. (DBA BIOSPHERE) 2022-06-30 — — US disclosed
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