SCHEMBL10890490

SCHEMBL10890490

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.52
▸ DPP4 P27487 1/20 0.50
▸ DPP8 Q6V1X1 1/20 0.50
▸ DPP9 Q86TI2 1/20 0.50
▸ BACE2 Q9Y5Z0 3/20 0.49
▸ ENPEP Q07075 5/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ CTSD P07339 2/20 0.47

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
SCHEMBL10890506 1.00 BACE1 (0.52) BACE1DPP4DPP8DPP9BACE2
SCHEMBL31064913 0.97 DPP4 (0.52) BACE1DPP4DPP8DPP9BACE2
SCHEMBL30905101 0.96 DPP4 (0.54) BACE1DPP4DPP8DPP9BACE2
SCHEMBL29843968 0.96 DPP4 (0.54) BACE1DPP4DPP8DPP9BACE2
SCHEMBL3178877 0.95 PTPN1 (0.52) BACE1DPP4DPP8DPP9BACE2
SCHEMBL22315779 0.95 PTPN1 (0.52) BACE1DPP4DPP8DPP9BACE2
SCHEMBL9293719 0.95 BACE1 (0.51) BACE1DPP4DPP8DPP9BACE2
SCHEMBL9293727 0.95 BACE1 (0.51) BACE1DPP4DPP8DPP9BACE2
SCHEMBL3178856 0.95 PTPN1 (0.52) BACE1DPP4DPP8DPP9BACE2
SCHEMBL29591098 0.92 ENPEP (0.46) BACE1DPP4DPP8DPP9BACE2

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
US-4590003-A ANTITUMOR AGENT ONCOGEN (US) 1986-05-20 — — US claimed
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