SCHEMBL30676232

SCHEMBL30676232

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.55
BACE1 P56817 9/20 0.51
CTSC P53634 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.44
PTPN1 P18031 1/20 0.44
CTSD P07339 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
SCHEMBL31401993 0.95 FOLH1 (0.55) FOLH1BACE1CTSCNAALAD2CTSD
SCHEMBL29531987 0.95 FOLH1 (0.60) FOLH1BACE1CTSCNAALAD2
SCHEMBL30193535 0.95 FOLH1 (0.60) FOLH1BACE1CTSCNAALAD2
SCHEMBL30878077 0.94 FOLH1 (0.58) FOLH1BACE1CTSCNAALAD2
SCHEMBL31256988 0.91 FOLH1 (0.49) FOLH1BACE1CTSCPTPN1CTSD
SCHEMBL30903472 0.90 FOLH1 (0.60) FOLH1BACE1CTSCNAALAD2
SCHEMBL30367248 0.89 CTSC (0.48) BACE1CTSCPTPN1
SCHEMBL31031491 0.87 FOLH1 (0.57) FOLH1BACE1PTPN1CTSD
SCHEMBL31688174 0.87 CTSC (0.50) FOLH1BACE1CTSCNAALAD2CTSD
SCHEMBL29695527 0.86 FOLH1 (0.50) FOLH1BACE1CTSC

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
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 US disclosed