Sugi Predict

Sugi Predict / Compounds / SCHEMBL30607466

SCHEMBL30607466

SCHEMBL30607466

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.65
▸ NPY4R P50391 8/20 0.65
▸ NPY5R Q15761 8/20 0.65
▸ NPY1R P25929 6/20 0.65
▸ EP300 Q09472 1/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ CALCR P30988 5/20 0.60
▸ RAMP3 O60896 3/20 0.60
▸ F2 P00734 1/20 0.57
▸ KEAP1 Q14145 1/20 0.57
▸ TFPI P10646 1/20 0.57
▸ NMUR2 Q9GZQ4 2/20 0.56
▸ NMUR1 Q9HB89 2/20 0.56

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
SCHEMBL30432659 0.95 EP300 (0.69) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30824286 0.91 EP300 (0.68) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30607435 0.90 NPY2R (0.76) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL29649229 0.90 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30607415 0.89 EP300 (0.67) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30607379 0.89 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31603950 0.89 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30432021 0.89 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30906476 0.89 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL31230205 0.89 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1REP300

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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