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Sugi Predict / Compounds / SCHEMBL29742984

SCHEMBL29742984

SCHEMBL29742984

CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 9/20 0.63
▸ CTSL P07711 2/20 0.59
▸ CTSS P25774 2/20 0.59
▸ CTSK P43235 2/20 0.59
▸ CTSH P09668 1/20 0.59
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ CXCL8 P10145 1/20 0.58
▸ GLP1R P43220 5/20 0.57
▸ GCGR P47871 3/20 0.57

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
SCHEMBL29697149 0.99 CXCR4 (0.65) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31182943 0.89 CXCR4 (0.64) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30437444 0.89 CXCR4 (0.65) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29416064 0.87 CXCR4 (0.62) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30567307 0.86 NPY1R (0.67) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29415999 0.86 NPY1R (0.59) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30883245 0.86 CXCR4 (0.62) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29867926 0.86 CXCR4 (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30768184 0.85 KISS1R (0.63) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182652 0.85 NPY1R (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R

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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