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SCHEMBL30607346

SCHEMBL30607346

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.60
▸ NPY2R P49146 7/20 0.56
▸ NPY4R P50391 7/20 0.56
▸ NPY5R Q15761 7/20 0.56
▸ NPY1R P25929 5/20 0.56
▸ TFPI P10646 5/20 0.56
▸ KEAP1 Q14145 1/20 0.56
▸ KDM1A O60341 1/20 0.55

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
SCHEMBL29461492 0.90 NPY2R (0.64) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495743 0.88 CALCR (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29523674 0.88 CALCR (0.70) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29856103 0.87 TFPI (0.60) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30658322 0.87 NPY2R (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30658198 0.86 CALCR (0.70) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30437293 0.86 NPY2R (0.63) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL12123904 0.86 CALCR (0.61) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182849 0.85 TFPI (0.61) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29811066 0.85 KDM1A (0.69) NPY2RNPY4RNPY5RNPY1RTFPI

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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