SCHEMBL28674497

SCHEMBL28674497

CCCCC(N)C(=O)OCCCO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.47
DPP7 Q9UHL4 2/20 0.43
SLC15A1 P46059 1/20 0.43
ACHE P22303 6/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
METAP1 P53582 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL29119304 0.95 NOD1 (0.49) NOD1DPP7SLC15A1ACHEALDH1A1
SCHEMBL29119022 0.95 NOD1 (0.49) NOD1DPP7ACHEALDH1A1SLC1A2
SCHEMBL29119093 0.93 NOD1 (0.51) NOD1DPP7ACHESLC1A2SLC1A1
SCHEMBL29073359 0.93 NOD1 (0.51) NOD1DPP7ACHESLC1A2SLC1A1
SCHEMBL28593296 0.93 NOD1 (0.51) NOD1DPP7ACHESLC1A2SLC1A1
SCHEMBL11072067 0.93 NOD1 (0.50) NOD1DPP7SLC15A1ACHEALDH1A1
SCHEMBL28346997 0.91 ACHE (0.46) NOD1DPP7SLC15A1ACHEALDH1A1
SCHEMBL1097461 0.90 NOD1 (0.50) NOD1DPP7SLC15A1ALDH1A1SLC1A3
SCHEMBL4957809 0.90 NOD1 (0.50) NOD1DPP7SLC15A1ALDH1A1SLC1A3
SCHEMBL28396406 0.89 NOD1 (0.56) NOD1DPP7SLC15A1ALDH1A1SLC1A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116887841-A Nanomaterials comprising ester-linked acetals 比姆医疗股份有限公司 2023-10-13 CN disclosed
CN-113710687-A Cyclopeptide antibiotics 豪夫迈·罗氏有限公司 2021-11-26 CN disclosed