SCHEMBL7705045

SCHEMBL7705045

CSCCC(NC(=O)C(CO)NC(=O)CN)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.45
▸ CTSD P07339 4/20 0.45
▸ FNTA P49354 8/20 0.44
▸ FNTB P49356 8/20 0.44
▸ FOLH1 Q04609 1/20 0.40
▸ MME P08473 2/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.39

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
SCHEMBL7705051 1.00 BACE1 (0.45) BACE1CTSDFNTAFNTBFOLH1
SCHEMBL29886740 0.88 MME (0.45) BACE1CTSDFNTAFNTBMME
SCHEMBL29776104 0.86 CYP2C9 (0.41) BACE1FNTAFNTB
SCHEMBL9561613 0.85 FOLH1 (0.53) BACE1CTSDFNTAFNTBFOLH1
SCHEMBL9561619 0.85 FOLH1 (0.53) BACE1CTSDFNTAFNTBFOLH1
SCHEMBL29350681 0.85 FOLH1 (0.53) BACE1CTSDFNTAFNTBFOLH1
SCHEMBL29445196 0.83 BACE1 (0.46) BACE1CTSDFNTAFNTBBACE2
SCHEMBL31341165 0.83 BACE1 (0.46) BACE1CTSDBACE2
SCHEMBL30052377 0.82 FNTA (0.48) FNTAFNTB
SCHEMBL30052430 0.82 FNTA (0.43) BACE1CTSDFNTAFNTB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6359113-B1 USING FUSED RING SYSTEM CONTAINING AT LEAST 4 AROMATIC RINGS, AND GROUP CONTAINING AT LEAST ONE CARBON ATOM WHICH IS CAPABLE OF BONDING TO A GROUP TO BE PROTECTED; SYNTHESIS, SEPARATION RHODIA CHIMIE (FR) 2002-03-19 — — US disclosed
EP-0565607-B1 PROTECTION GROUP, COMPOUD PROTECTED BY THIS GROUP AND DEVICE FOR GRAFTING THE PROTECTION GROUP ONTO THE COMPOUND BEING PROTECTED RHODIA CHIMIE SA (FR) 1999-04-21 — — EP disclosed
US-5869605-A Protected compound comprising a protective group removably attached to a compound to be protected RHONE-POULENCCHIMIE (FR) 1999-02-09 — — US disclosed
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