Sugi Predict

Sugi Predict / Compounds / SCHEMBL30764137

SCHEMBL30764137

SCHEMBL30764137

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.54
▸ TFPI P10646 1/20 0.47
▸ BACE1 P56817 2/20 0.46
▸ PTH1R Q03431 5/20 0.46
▸ GLP1R P43220 2/20 0.46
▸ ECE1 P42892 1/20 0.46
▸ MUS81 Q96NY9 1/20 0.46
▸ VIPR2 P41587 3/20 0.45
▸ VIPR1 P32241 3/20 0.45
▸ EP300 Q09472 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43

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
SCHEMBL30390186 0.93 RXFP1 (0.57) RXFP1TFPIPTH1RVIPR2VIPR1
SCHEMBL9346849 0.93 RXFP1 (0.52) RXFP1TFPIBACE1PTH1RGLP1R
SCHEMBL9346837 0.93 RXFP1 (0.52) RXFP1TFPIBACE1PTH1RGLP1R
SCHEMBL29458807 0.92 BACE1 (0.48) BACE1
SCHEMBL30389981 0.90 RXFP1 (0.55) RXFP1TFPIPTH1RVIPR2VIPR1
SCHEMBL31670477 0.90 RXFP1 (0.47) RXFP1BACE1KEAP1
SCHEMBL30176466 0.90 RXFP1 (0.54) RXFP1TFPIPTH1RGLP1RECE1
SCHEMBL31255227 0.89 RXFP1 (0.58) RXFP1TFPIBACE1PTH1RGLP1R
SCHEMBL30607431 0.89 TFPI (0.58) RXFP1TFPIPTH1RVIPR2VIPR1
SCHEMBL31670471 0.88 RXFP1 (0.46) RXFP1TFPIBACE1PTH1RGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510586-A Umami peptide based on artificial intelligence screening and screening method and application 沈阳农业大学 2024-02-06 — — CN claimed
CN-117510586-A Umami peptide based on artificial intelligence screening and screening method and application 沈阳农业大学 2024-02-06 — — CN disclosed
CN-117510586-A Umami peptide based on artificial intelligence screening and screening method and application 沈阳农业大学 2024-02-06 — — CN disclosed
Send feedback