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SCHEMBL29697127

SCHEMBL29697127

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.63
▸ CTSS P25774 3/20 0.63
▸ CTSK P43235 3/20 0.63
▸ CTSH P09668 1/20 0.63
▸ CXCR4 P61073 8/20 0.61
▸ C5AR1 P21730 1/20 0.60
▸ KISS1R Q969F8 1/20 0.58
▸ NMBR P28336 2/20 0.57
▸ GRPR P30550 2/20 0.57
▸ GLP1R P43220 3/20 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
SCHEMBL30262205 0.88 CTSL (0.65) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31683258 0.87 CXCR4 (0.71) CXCR4C5AR1KISS1R
SCHEMBL30607279 0.87 NPY1R (0.68) CXCR4C5AR1NMBRGRPRGLP1R
SCHEMBL29697166 0.87 CTSL (0.62) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL29459909 0.86 C5AR1 (0.67) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL29754493 0.86 C5AR1 (0.68) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31182778 0.86 GLP1R (0.68) CXCR4C5AR1GLP1RGCGR
SCHEMBL30821694 0.86 CTSL (0.69) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL29655839 0.85 CXCR4 (0.63) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30542892 0.85 CTSL (0.65) CTSLCTSSCTSKCTSHCXCR4

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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