Sugi Predict

Sugi Predict / Compounds / SCHEMBL29743005

SCHEMBL29743005

SCHEMBL29743005

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

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.62
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ NPY5R Q15761 1/20 0.59
▸ GLP1R P43220 14/20 0.58
▸ GCGR P47871 9/20 0.57
▸ GIPR P48546 6/20 0.57
▸ C5AR1 P21730 1/20 0.54

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
SCHEMBL30780078 0.92 KEAP1 (0.57) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607323 0.89 GLP1R (0.64) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29415999 0.89 NPY1R (0.59) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30780077 0.88 CTSL (0.55) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29436020 0.88 GLP1R (0.68) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30428853 0.88 KEAP1 (0.64) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30768184 0.88 KISS1R (0.63) KEAP1NPY1RNPY2RNPY4RNPY5R
Rinnipwseamm SCHEMBL30420540 0.87 CXCR4 (0.58) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29509248 0.87 KEAP1 (0.64) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31745555 0.87 C5AR1 (0.63) NPY1RNPY2RNPY4RNPY5RGLP1R

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