SCHEMBL10768333

SCHEMBL10768333

CC(NC(CCCCN)C(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ITGB3 P05106 8/20 0.42
▸ ITGA2B P08514 8/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PEPD P12955 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
SCHEMBL7433053 1.00 ACE (0.45) ACELMNAITGB3ITGA2BSMN1; SMN2
SCHEMBL10771306 1.00 ACE (0.45) ACELMNAITGB3ITGA2BSMN1; SMN2
SCHEMBL10771310 1.00 ACE (0.45) ACELMNAITGB3ITGA2BSMN1; SMN2
SCHEMBL7433056 1.00 ACE (0.45) ACELMNAITGB3ITGA2BSMN1; SMN2
SCHEMBL7313646 0.82 ITGB3 (0.58) ACEITGB3ITGA2BPEPD
SCHEMBL7288661 0.82 ITGB3 (0.58) ACEITGB3ITGA2BPEPD
SCHEMBL8661714 0.81 DPP7 (0.56) PEPD
SCHEMBL10779423 0.81 ACE (0.43) ACELMNASMN1; SMN2PEPD
SCHEMBL11050342 0.80 ACE (0.69) ACELMNASMN1; SMN2
SCHEMBL683082 0.80 ACE (0.69) ACELMNASMN1; SMN2

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-0237239-A2 New compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-09-16 — — EP disclosed
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