SCHEMBL14453256

SCHEMBL14453256

CC(C)CCC(=O)N1CCC[C@H]1C=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.40
▸ REN P00797 1/20 0.40
▸ RAB9A P51151 1/20 0.37
▸ DPP4 P27487 2/20 0.36
▸ HCRTR2 O43614 2/20 0.36
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ PREP P48147 1/20 0.35

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
SCHEMBL14080195 0.81 DPP4 (0.40) ACEDPP4HCRTR2
SCHEMBL21527472 0.80 BLM (0.37) ACERENRAB9ADPP4PREP
SCHEMBL6389769 0.78 ACE (0.41) ACE
SCHEMBL11432958 0.78 ACE (0.41) ACE
SCHEMBL14273591 0.78 DPP4 (0.41) DPP4DPP8DPP9DPP7PREP
SCHEMBL12324861 0.78 DPP4 (0.41) DPP4DPP8DPP9DPP7PREP
SCHEMBL17378268 0.77 ACE (0.47) ACERENRAB9A
SCHEMBL26724818 0.77 ACE (0.47) ACERENRAB9A
SCHEMBL871820 0.77 ACE (0.61) ACERENRAB9A
SCHEMBL13077436 0.77 DPP4 (0.53) ACERENRAB9ADPP4HCRTR2

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-20070196901-A1 Kahalalide-producing bacteria MARYLAND BIOTECHNOLOGY INSTITUTE, UNIVERSITY 2007-08-23 — — US disclosed
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