Sugi Predict

Sugi Predict / Compounds / SCHEMBL30437447

SCHEMBL30437447

SCHEMBL30437447

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 11/20 0.58
▸ CALCR P30988 11/20 0.58
▸ NPY2R P49146 7/20 0.56
▸ NPY4R P50391 7/20 0.56
▸ NPY5R Q15761 7/20 0.56
▸ NPY1R P25929 5/20 0.56
▸ CXCR4 P61073 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
SCHEMBL30423163 0.90 RAMP3 (0.60) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29949435 0.90 NPY2R (0.58) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31031572 0.90 RAMP3 (0.59) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29949632 0.89 MAPK8 (0.59) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31683337 0.88 NPY2R (0.61) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30437145 0.88 RAMP3 (0.59) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30900795 0.88 NPY2R (0.57) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31467763 0.88 EPHA2 (0.48) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30900792 0.87 NPY2R (0.53) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30432440 0.87 RAMP3 (0.58) RAMP3CALCRNPY2RNPY4RNPY5R

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-116103323-B Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2024-10-22 — — CN disclosed
CN-116103323-A Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2023-05-12 — — CN disclosed
Send feedback