Sugi Predict

Sugi Predict / Compounds / SCHEMBL30805694

SCHEMBL30805694

SCHEMBL30805694

CC(=O)NCSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.47
▸ CTSD P07339 3/20 0.45
▸ BACE2 Q9Y5Z0 3/20 0.42
▸ GRPR P30550 2/20 0.41

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
SCHEMBL29374208 1.00 BACE1 (0.47) BACE1CTSDBACE2GRPR
SCHEMBL15761356 0.93 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL30805684 0.85 BACE1 (0.38) BACE1CTSDGRPR
SCHEMBL6442033 0.84 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL30433100 0.83 BACE1 (0.49) BACE1CTSD
SCHEMBL26629909 0.82 BACE1 (0.46) BACE1CTSDBACE2
SCHEMBL15761363 0.81 BACE1 (0.45) BACE1CTSDBACE2
SCHEMBL31124670 0.80 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL31174214 0.79 ENPEP (0.47) BACE1CTSDBACE2
SCHEMBL30262087 0.79 GRPR (0.47) GRPR

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-111285921-B BDK auxiliary group and liquid phase total synthesis method of procalcitonin and analog based on BDK auxiliary group 西北工业大学 2024-03-01 — — CN disclosed
Send feedback