Sugi Predict

Sugi Predict / Compounds / SCHEMBL29630630

SCHEMBL29630630

SCHEMBL29630630

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 14/20 0.56
▸ CTSD P07339 1/20 0.54
▸ BACE2 Q9Y5Z0 1/20 0.49
▸ KISS1R Q969F8 1/20 0.48

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
SCHEMBL18907573 0.95 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL30646465 0.94 CTSD (0.52) BACE1CTSDKISS1R
SCHEMBL30542169 0.93 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL31307223 0.93 BACE1 (0.63) BACE1CTSDBACE2KISS1R
Ammonia Solution, Strong SCHEMBL29411356 0.89 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL29592671 0.89 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL30493684 0.89 CTSD (0.52) BACE1CTSDBACE2
SCHEMBL30904472 0.88 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL29857400 0.87 ACE (0.51) BACE1BACE2KISS1R
SCHEMBL29458786 0.87 ACE (0.51) BACE1BACE2KISS1R

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
Send feedback