Sugi Predict

Sugi Predict / Compounds / SCHEMBL30607357

SCHEMBL30607357

SCHEMBL30607357

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 9/20 0.57
▸ NPY4R P50391 7/20 0.57
▸ NPY5R Q15761 7/20 0.57
▸ NPY1R P25929 7/20 0.57
▸ CXCR4 P61073 2/20 0.57
▸ CALCR P30988 7/20 0.56
▸ RAMP3 O60896 4/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 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
SCHEMBL31182758 0.90 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182508 0.89 CXCR4 (0.59) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182942 0.89 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30658337 0.89 NPY2R (0.60) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31507665 0.89 CALCR (0.63) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30658199 0.88 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30567704 0.88 CALCR (0.54) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30658279 0.87 NPY2R (0.73) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29811052 0.87 KEAP1 (0.59) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31182888 0.87 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RCXCR4

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-12383505-B2 Nanoparticle for the remodeling of cancer-associated fibroblasts UNIVERSITY OF SOUTH CAROLINA (US) 2025-08-12 — — US disclosed
US-20230310331-A1 NANOPARTICLE FOR THE REMODELING OF CANCER-ASSOCIATED FIBROBLASTS UNIVERSITY OF SOUTH CAROLINA (US) 2023-10-05 — — US disclosed
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