SCHEMBL29742982

SCHEMBL29742982

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.65
▸ KEAP1 Q14145 1/20 0.62
▸ GLP1R P43220 9/20 0.62
▸ GCGR P47871 8/20 0.62
▸ GIPR P48546 5/20 0.62
▸ APLNR P35414 1/20 0.60
▸ CRHR1 P34998 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59
▸ F2 P00734 2/20 0.58

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
SCHEMBL30524357 0.91 APLNR (0.67) CALCRKEAP1GLP1RGCGRGIPR
SCHEMBL31182915 0.90 CALCR (0.72) CALCRKEAP1GLP1RGCGRGIPR
SCHEMBL31168252 0.89 CALCR (0.73) CALCRKEAP1GLP1RGCGRGIPR
SCHEMBL30428850 0.89 CALCR (0.67) CALCRKEAP1GLP1RGCGRGIPR
SCHEMBL30358206 0.89 CALCR (0.70) CALCRKEAP1GLP1RGCGRAPLNR
SCHEMBL30185050 0.89 APLNR (0.62) CALCRKEAP1GLP1RGCGRAPLNR
SCHEMBL31182500 0.88 CALCR (0.72) CALCRGLP1RAPLNRCRHR1CRHR2
SCHEMBL30276691 0.88 CALCR (0.68) CALCRKEAP1GLP1RGCGRAPLNR
SCHEMBL30446021 0.88 CALCR (0.68) CALCRKEAP1GLP1RGCGRAPLNR
SCHEMBL29949373 0.88 CALCR (0.70) CALCRKEAP1GLP1RGCGRGIPR

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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