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SCHEMBL8364612

SCHEMBL8364612

CCC(NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(N)Cc1ccccc1)C(C)CC)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 14/20 0.63
▸ BACE2 Q9Y5Z0 5/20 0.63
▸ CTSD P07339 7/20 0.61
▸ REN P00797 1/20 0.56

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
SCHEMBL30369388 0.90 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL8363112 0.88 BACE1 (0.56) BACE1BACE2CTSDREN
Ammonia Solution, Strong SCHEMBL29411356 0.88 BACE1 (0.56) BACE1BACE2CTSDREN
SCHEMBL29425531 0.88 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL30368886 0.88 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL30369274 0.88 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL30369032 0.87 BACE1 (0.72) BACE1BACE2CTSD
SCHEMBL30542169 0.86 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL29592671 0.86 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL31220207 0.85 BACE1 (0.58) BACE1BACE2CTSD

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-2002014352-A9 THERAPEUTIC COMPOUNDS FOR OVARIAN CANCER GENZYME CORP (US) 2004-03-04 — — WO disclosed
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