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SCHEMBL29697166

SCHEMBL29697166

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.62
▸ CTSS P25774 3/20 0.62
▸ CTSK P43235 3/20 0.62
▸ CTSH P09668 1/20 0.62
▸ CXCR4 P61073 5/20 0.61
▸ KEAP1 Q14145 1/20 0.61
▸ GLP1R P43220 5/20 0.59
▸ GCGR P47871 4/20 0.59
▸ GIPR P48546 1/20 0.59
▸ C5AR1 P21730 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
▸ CALCA P06881 1/20 0.57
▸ KISS1R Q969F8 2/20 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
SCHEMBL31182960 0.90 CXCR4 (0.68) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30262205 0.90 CTSL (0.65) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30429341 0.89 GLP1R (0.68) CXCR4KEAP1GLP1RGCGRGIPR
SCHEMBL30988892 0.87 CTSL (0.63) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL29655839 0.87 CXCR4 (0.63) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL29655872 0.87 CXCR4 (0.67) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL29697127 0.87 CTSL (0.63) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31000951 0.86 C5AR1 (0.71) CXCR4GLP1RGCGRC5AR1NPY1R
SCHEMBL31182778 0.86 GLP1R (0.68) CXCR4KEAP1GLP1RGCGRC5AR1
SCHEMBL30646058 0.86 KISS1R (0.64) CXCR4KEAP1C5AR1NPY1RNPY2R

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 4 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
EP-4267551-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY Oakbio Inc. (US) 2023-11-01 — — EP disclosed
WO-2022140493-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY Oakbio, Inc. (US) 2022-06-30 — — WO 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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