Sugi Predict

Sugi Predict / Compounds / SCHEMBL29742991

SCHEMBL29742991

SCHEMBL29742991

CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.54
▸ MAGI3 Q5TCQ9 1/20 0.53
▸ GLP1R P43220 8/20 0.53
▸ PRMT1 Q99873 1/20 0.51
▸ NPBWR1 P48145 4/20 0.50
▸ ECE1 P42892 1/20 0.50
▸ MUS81 Q96NY9 1/20 0.50
▸ OPRM1 P35372 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ PCSK9 Q8NBP7 1/20 0.49
▸ ERAP2 Q6P179 1/20 0.49
▸ GRPR P30550 1/20 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
SCHEMBL30690374 0.87 GLP1R (0.54) EDNRAMAGI3GLP1RPRMT1NPBWR1
SCHEMBL30690361 0.87 GLP1R (0.54) EDNRAMAGI3GLP1RPRMT1NPBWR1
SCHEMBL29443913 0.86 RXFP1 (0.54) EDNRAMAGI3GLP1RPRMT1NPBWR1
SCHEMBL29534976 0.85 GLP1R (0.60) GLP1RNPBWR1OPRD1RXFP1PCSK9
SCHEMBL30690366 0.85 GRPR (0.55) EDNRAMAGI3GLP1RPRMT1NPBWR1
SCHEMBL30950657 0.85 OPRM1 (0.58) PRMT1NPBWR1ECE1OPRM1OPRD1
SCHEMBL31247979 0.85 CCKBR (0.53) MAGI3GLP1RPRMT1RXFP1GRPR
SCHEMBL30690338 0.85 GLP1R (0.62) GLP1RNPBWR1ECE1MUS81OPRM1
SCHEMBL29443911 0.85 GLP1R (0.62) GLP1RNPBWR1ECE1MUS81OPRM1
SCHEMBL29655899 0.84 GLP1R (0.50) GLP1RPRMT1NPBWR1OPRM1OPRD1

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
Send feedback