SCHEMBL27780591

SCHEMBL27780591

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
BACE1 P56817 9/20 0.59
BACE2 Q9Y5Z0 2/20 0.59
CTSD P07339 1/20 0.57
NAALAD2 Q9Y3Q0 1/20 0.56
MME P08473 2/20 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
SCHEMBL29384172 0.97 LTA4H (0.62) LTA4HBACE1BACE2CTSDMME
SCHEMBL30903468 0.95 LTA4H (0.63) LTA4HBACE1BACE2CTSDMME
SCHEMBL31720977 0.95 LTA4H (0.63) LTA4HBACE1BACE2CTSDMME
SCHEMBL29772150 0.93 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL29385423 0.91 LTA4H (0.58) LTA4HBACE1BACE2CTSDMME
SCHEMBL31022699 0.91 BACE1 (0.64) BACE1BACE2CTSDNAALAD2
SCHEMBL30745233 0.91 IL1RN (0.59) BACE1BACE2NAALAD2
SCHEMBL30804672 0.91 BACE1 (0.69) BACE1BACE2CTSDNAALAD2
SCHEMBL32667937 0.91 BACE1 (0.66) LTA4HBACE1BACE2CTSDNAALAD2
SCHEMBL30193491 0.91 NAALAD2 (0.60) LTA4HBACE1BACE2CTSDNAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101715454-A Tumor selective and biodegradable cyclotriphosphazene-platinum(II) conjugate anticancer agent, and preparation method thereof NANOHYBRID CO LTD 2010-05-26 CN claimed
CN-101715454-A Tumor selective and biodegradable cyclotriphosphazene-platinum(II) conjugate anticancer agent, and preparation method thereof NANOHYBRID CO LTD 2010-05-26 CN disclosed