SCHEMBL30905993

SCHEMBL30905993

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.61
BACE2 Q9Y5Z0 2/20 0.61
LTA4H P09960 1/20 0.60
CTSD P07339 1/20 0.59
MME P08473 2/20 0.59

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
SCHEMBL32667937 0.95 BACE1 (0.66) BACE1BACE2LTA4HCTSD
SCHEMBL29641835 0.95 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL30804672 0.93 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL29382122 0.92 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL29895758 0.92 NPY4R (0.65) BACE1BACE2CTSD
SCHEMBL2184730 0.91 NPY4R (0.64) BACE1BACE2
SCHEMBL30903468 0.91 LTA4H (0.63) BACE1BACE2LTA4HCTSDMME
SCHEMBL31720977 0.91 LTA4H (0.63) BACE1BACE2LTA4HCTSDMME
SCHEMBL30193491 0.91 NAALAD2 (0.60) BACE1BACE2LTA4HCTSD
SCHEMBL8821940 0.90 NAALAD2 (0.64) BACE1BACE2LTA4HCTSDMME

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
WO-2024110827-A1 METHODS FOR PREPARING CONJUGATED CAPSULAR SACCHARIDE ANTIGENS AND USES THEREOF PFIZER INC. (US) 2024-05-30 WO disclosed