Sugi Predict

Sugi Predict / Compounds / SCHEMBL30576961

SCHEMBL30576961

SCHEMBL30576961

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 14/20 0.59
▸ CALCR P30988 14/20 0.59
▸ C5AR1 P21730 1/20 0.58
▸ APLNR P35414 1/20 0.57
▸ 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
SCHEMBL31182616 0.92 RAMP3 (0.63) RAMP3CALCR
SCHEMBL30423484 0.91 GLP1R (0.60) RAMP3CALCR
SCHEMBL31688331 0.90 APLNR (0.58) C5AR1APLNRCXCR4
SCHEMBL29362632 0.89 APLNR (0.61) RAMP3CALCRC5AR1APLNR
SCHEMBL30431782 0.89 CALCR (0.65) RAMP3CALCRAPLNR
SCHEMBL31182654 0.88 NPY2R (0.66) RAMP3CALCRC5AR1
SCHEMBL30262245 0.88 MC4R (0.62) RAMP3CALCRC5AR1APLNR
SCHEMBL30436896 0.88 CALCR (0.68) RAMP3CALCRC5AR1
SCHEMBL30960478 0.88 CALCR (0.66) CALCRC5AR1APLNRCXCR4
SCHEMBL29742990 0.88 MAPK8 (0.61) RAMP3CALCR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621961-A Gene ZmAPC4 for regulating starch content in corn kernel, expression product, SNP marker, excellent haplotype and application 河南农业大学 2023-08-22 — — CN disclosed
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