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Sugi Predict / Compounds / SCHEMBL8742407

SCHEMBL8742407

SCHEMBL8742407

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.60
▸ BACE2 Q9Y5Z0 4/20 0.60
▸ CTSD P07339 2/20 0.59
▸ TFPI P10646 1/20 0.54
▸ KISS1R Q969F8 3/20 0.53

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
SCHEMBL8742387 1.00 BACE1 (0.60) BACE1BACE2CTSDTFPIKISS1R
SCHEMBL8722030 0.93 BACE1 (0.58) BACE1BACE2CTSDTFPI
SCHEMBL8722013 0.93 BACE1 (0.58) BACE1BACE2CTSDTFPI
SCHEMBL31672193 0.91 BACE1 (0.61) BACE1BACE2CTSDTFPI
SCHEMBL29616877 0.91 BACE1 (0.58) BACE1BACE2CTSDTFPI
SCHEMBL8363698 0.90 BACE1 (0.56) BACE1BACE2TFPIKISS1R
SCHEMBL30175896 0.90 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL29893268 0.89 TFPI (0.60) BACE1BACE2CTSDTFPI
SCHEMBL30436211 0.89 BACE1 (0.61) BACE1BACE2CTSDTFPI
SCHEMBL30974029 0.89 KISS1R (0.52) BACE1BACE2CTSDTFPIKISS1R

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
EP-0656747-A4 COMPOSITION AND METHOD FOR ALTERING DNA SEQUENCES BY HOMOLOGOUS RECOMBINATION. UNIV CALIFORNIA (US) 1997-05-07 — — EP disclosed
EP-0656747-A1 COMPOSITION AND METHOD FOR ALTERING DNA SEQUENCES BY HOMOLOGOUS RECOMBINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-06-14 — — EP disclosed
WO-1994004032-A1 COMPOSITION AND METHOD FOR ALTERING DNA SEQUENCES BY HOMOLOGOUS RECOMBINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-03-03 — — WO disclosed
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