SCHEMBL7306963

SCHEMBL7306963

CC(C)C(C(=O)O)C(C(CC1CCCCC1)NC(=O)[C@@H](N)CCCCN)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 19/20 0.48
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ PGGT1B P53609 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
SCHEMBL7308131 0.80 CTSD (0.45) —
SCHEMBL7284748 0.77 CPB2 (0.49) CPB2
SCHEMBL7284754 0.77 CPB2 (0.49) CPB2
SCHEMBL30438211 0.74 CPB2 (0.63) CPB2
SCHEMBL7306971 0.74 CPB2 (0.46) CPB2
SCHEMBL7285396 0.73 CPB2 (0.47) CPB2
SCHEMBL7285402 0.73 CPB2 (0.47) CPB2
SCHEMBL10718805 0.73 CPB2 (0.48) CPB2
SCHEMBL10718807 0.73 CPB2 (0.48) CPB2
SCHEMBL30120708 0.70 CPB2 (0.67) CPB2

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
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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