Sugi Predict

Sugi Predict / Compounds / SCHEMBL31452901

SCHEMBL31452901

SCHEMBL31452901

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 10/20 0.67
▸ IL23R Q5VWK5 1/20 0.59
▸ NPY1R P25929 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ NPY4R P50391 1/20 0.59
▸ NPY5R Q15761 1/20 0.59
▸ CALCA P06881 2/20 0.58
▸ C5AR1 P21730 1/20 0.57
▸ EPHA2 P29317 2/20 0.56
▸ KEAP1 Q14145 1/20 0.56
▸ CXCL8 P10145 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
SCHEMBL31683258 0.90 CXCR4 (0.71) CXCR4C5AR1CXCL8
SCHEMBL30974336 0.89 CXCR4 (0.69) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31307240 0.89 CXCR4 (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31011012 0.89 CXCR4 (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31186277 0.88 MC4R (0.61) CXCR4IL23RC5AR1CXCL8
SCHEMBL31182778 0.88 GLP1R (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31452904 0.88 CTSL (0.62) CXCR4IL23RCXCL8
SCHEMBL30906553 0.87 CXCL8 (0.65) CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30883231 0.87 CXCR4 (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30799900 0.87 IL23R (0.68) CXCR4IL23RNPY1RNPY2RNPY4R

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-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN claimed
CN-119751581-A Cyclic peptide molecule of specific targeting EphA2 and application thereof in preparation of tumor diagnosis reagent or tumor treatment drug 上海交通大学 2025-04-04 — — CN disclosed
Send feedback