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SCHEMBL29697115

SCHEMBL29697115

CSCC[C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.55
▸ IL23R Q5VWK5 2/20 0.54
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ GLP1R P43220 5/20 0.52
▸ SCTR P47872 1/20 0.51
▸ KEAP1 Q14145 1/20 0.50
▸ BACE1 P56817 2/20 0.49
▸ BACE2 Q9Y5Z0 2/20 0.49
▸ CCKBR P32239 2/20 0.49

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
SCHEMBL30712910 0.88 KEAP1 (0.54) CALCRIL23RCRHR1CRHR2GLP1R
SCHEMBL30553604 0.87 GLP1R (0.51) CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL30424020 0.87 GLP1R (0.64) GLP1RSCTR
SCHEMBL29372444 0.87 GLP1R (0.64) GLP1RSCTR
SCHEMBL29794241 0.86 GLP1R (0.51) CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL30861919 0.84 GLP1R (0.58) GLP1RSCTR
SCHEMBL30906482 0.84 CALCR (0.57) CALCRIL23RCRHR1CRHR2GLP1R
SCHEMBL29462131 0.84 GLP1R (0.64) GLP1RSCTRBACE1BACE2
SCHEMBL30184796 0.84 GLP1R (0.64) GLP1RSCTRBACE1BACE2
SCHEMBL29972926 0.84 CCKAR (0.49) CALCRKEAP1BACE1BACE2CCKBR

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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