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Sugi Predict / Compounds / SCHEMBL30772230

SCHEMBL30772230

SCHEMBL30772230

CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.60
▸ CRHR1 P34998 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ KEAP1 Q14145 1/20 0.51
▸ HCRTR1 O43613 1/20 0.48
▸ HCRTR2 O43614 1/20 0.48
▸ GLP1R P43220 6/20 0.48
▸ GCGR P47871 3/20 0.48
▸ CCKBR P32239 2/20 0.48

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
SCHEMBL31182438 0.92 CALCR (0.68) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30432179 0.90 CALCR (0.57) CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30437302 0.90 CALCR (0.54) CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30358158 0.89 CALCR (0.57) CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30658252 0.88 CALCR (0.71) CALCRCRHR1CRHR2GLP1R
SCHEMBL29511681 0.88 CALCR (0.54) CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30436887 0.88 CALCR (0.55) CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29697025 0.87 CALCR (0.51) CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL31190269 0.87 CALCR (0.57) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30637769 0.87 CALCR (0.55) CALCRCRHR1CRHR2HCRTR1HCRTR2

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
CN-117447568-B Application of EsDREB2B gene and protein of Sophora angustifolia 中国科学院新疆生态与地理研究所 2024-08-06 — — CN disclosed
CN-117447568-A Application of EsDREB2B gene and protein of Sophora angustifolia 中国科学院新疆生态与地理研究所 2024-01-26 — — CN disclosed
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