Sugi Predict

Sugi Predict / Compounds / SCHEMBL30607271

SCHEMBL30607271

SCHEMBL30607271

CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)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)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ NPY2R P49146 7/20 0.57
▸ NPY4R P50391 7/20 0.57
▸ NPY5R Q15761 7/20 0.57
▸ NPY1R P25929 5/20 0.57
▸ KDM1A O60341 2/20 0.57
▸ MAOB P27338 1/20 0.57
▸ KDM5A P29375 1/20 0.57
▸ KDM1B Q8NB78 1/20 0.57
▸ RAMP3 O60896 3/20 0.56
▸ CALCR P30988 3/20 0.56
▸ TFPI P10646 4/20 0.56
▸ KEAP1 Q14145 2/20 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
SCHEMBL30712959 0.88 NPY2R (0.64) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31182617 0.87 NPY2R (0.61) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30320529 0.87 KDM1A (0.57) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31183021 0.87 RAMP3 (0.58) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30436240 0.86 RAMP3 (0.64) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30495778 0.86 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29540337 0.86 EPHA2 (0.54) RAMP3CALCRKEAP1
SCHEMBL30432086 0.86 RAMP3 (0.63) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30607415 0.86 EP300 (0.67) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30495834 0.85 RAMP3 (0.68) EP300HIF1ANPY2RNPY4RNPY5R

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
Send feedback