SCHEMBL28230970

SCHEMBL28230970

CN(C(=O)CCCCC(N)=O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
PDE4A P27815 5/20 0.44
PDE4B Q07343 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
BACE1 P56817 2/20 0.44
PDE3B Q13370 9/20 0.43
PDE3A Q14432 9/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE5A O76074 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PTAFR P25105 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PDE1A P54750 1/20 0.43

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
SCHEMBL10453317 0.93 ALDH1A1 (0.56) ALDH1A1BACE1PDE3BPDE3AMEN1
SCHEMBL15224297 0.91 ALDH1A1 (0.51) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7130868 0.91 ALDH1A1 (0.54) ALDH1A1BACE1PDE3BPDE3AMEN1
SCHEMBL10721996 0.91 ALDH1A1 (0.54) ALDH1A1BACE1PDE3BPDE3AMEN1
SCHEMBL10722325 0.89 ALDH1A1 (0.56) ALDH1A1BACE1PDE3BPDE3AMEN1
SCHEMBL3363613 0.86 ALDH1A1 (0.50) ALDH1A1BACE1PDE3BPDE3AMEN1
SCHEMBL10723835 0.85 ALDH1A1 (0.59) ALDH1A1BACE1PDE3BPDE3AMEN1
SCHEMBL6331038 0.84 ALDH1A1 (0.49) ALDH1A1BACE1PDE3BPDE3AMEN1
SCHEMBL21891513 0.84 ALDH1A1 (0.57) ALDH1A1PDE3BPDE3AMEN1KMT2A
SCHEMBL9368480 0.82 ALDH1A1 (0.50) ALDH1A1BACE1PDE3BPDE3AMEN1

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
CN-108352463-A Battery packaging material, battery, method for producing battery packaging material, and aluminum alloy foil 大日本印刷株式会社 2018-07-31 CN disclosed