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SCHEMBL10423767

SCHEMBL10423767

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.53
▸ BACE2 Q9Y5Z0 2/20 0.53
▸ PTPN1 P18031 2/20 0.52
▸ NAALAD2 Q9Y3Q0 1/20 0.50
▸ CTSD P07339 1/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP8 P22894 1/20 0.49

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
SCHEMBL10423770 1.00 BACE1 (0.53) BACE1BACE2PTPN1NAALAD2CTSD
SCHEMBL29365781 0.92 MME (0.53) BACE1
SCHEMBL18173547 0.92 MME (0.53) BACE1
SCHEMBL18173548 0.92 MME (0.53) BACE1
SCHEMBL30658562 0.89 BACE1 (0.66) BACE1BACE2PTPN1CTSD
SCHEMBL30799353 0.85 BACE1 (0.65) BACE1BACE2PTPN1CTSD
SCHEMBL30658570 0.85 NAALAD2 (0.56) BACE1BACE2NAALAD2CTSDMMP1
SCHEMBL31380447 0.85 NAALAD2 (0.65) NAALAD2MMP1MMP8
SCHEMBL30692733 0.85 NAALAD2 (0.65) NAALAD2MMP1MMP8
SCHEMBL29488057 0.85 NAALAD2 (0.65) NAALAD2MMP1MMP8

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
US-4933288-A DNA SEQUENCE ENCODING PROTEINS PROCESSABLE BY DIPHTHERIA TOXIN LEADERS CETUS CORPORATION (US) 1990-06-12 — — US claimed
US-4933288-A DNA SEQUENCE ENCODING PROTEINS PROCESSABLE BY DIPHTHERIA TOXIN LEADERS CETUS CORPORATION (US) 1990-06-12 — — US disclosed