SCHEMBL28053791

SCHEMBL28053791

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.50
▸ BACE1 P56817 9/20 0.47
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ CTSD P07339 2/20 0.47
▸ ENPEP Q07075 5/20 0.46
▸ FNTA P49354 4/20 0.45
▸ FNTB P49356 4/20 0.45
▸ GNPAT O15228 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
SCHEMBL30817884 0.92 BACE1 (0.53) BACE1BACE2CTSD
SCHEMBL31406797 0.89 BACE1 (0.51) FOLH1BACE1BACE2CTSDENPEP
SCHEMBL11087895 0.89 FOLH1 (0.56) FOLH1BACE1BACE2CTSD
SCHEMBL30242247 0.88 GNPAT (0.49) FOLH1BACE1BACE2CTSDENPEP
SCHEMBL30811199 0.88 FOLH1 (0.63) FOLH1ENPEPFNTAFNTBGNPAT
SCHEMBL30234159 0.88 FOLH1 (0.63) FOLH1ENPEPFNTAFNTBGNPAT
SCHEMBL29368560 0.88 FOLH1 (0.63) FOLH1ENPEPFNTAFNTBGNPAT
SCHEMBL29564288 0.88 FOLH1 (0.63) FOLH1ENPEPFNTAFNTBGNPAT
SCHEMBL30578946 0.88 BACE1 (0.53) FOLH1BACE1BACE2CTSDENPEP
SCHEMBL29630631 0.87 FOLH1 (0.54) FOLH1BACE1BACE2CTSD

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-103710393-B Utilize the method preparing chiral alcohol containing small peptide class ionic liquid reaction system JIANG University OF TECHNOLOGY (CN) 2016-03-09 — — CN disclosed
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