SCHEMBL28061879

SCHEMBL28061879

CCCCC(CC)C(=O)C=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.59
MAPK1 P28482 2/20 0.59
CA1 P00915 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
USP2 O75604 1/20 0.40
CTSK P43235 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL30443673 0.92 CA2 (0.50) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL26624044 0.84 CA2 (0.50) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL29033165 0.83 CA2 (0.53) CA2MAPK1SLC1A2SLC1A1MAPT
SCHEMBL27585474 0.83 CA2 (0.53) CA2MAPK1SLC1A2SLC1A1MAPT
SCHEMBL27365842 0.83 CA2 (0.53) CA2MAPK1SLC1A2SLC1A1MAPT
SCHEMBL29060866 0.81
SCHEMBL30924819 0.81 CA2 (0.57) CA2MAPK1CA1SMN1; SMN2TSHR
SCHEMBL515105 0.79 CA2 (0.67) CA2MAPK1CA1SMN1; SMN2TSHR
SCHEMBL4239641 0.79 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1MAPT
2-Ethylhexanoic Acid SCHEMBL6130020 0.77 CA2 (0.95) CA2MAPK1CA1SMN1; SMN2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929400-B Nickel catalyst system, high-performance polybutadiene and preparation method thereof 北京化工大学 2023-03-14 CN claimed
CN-107474826-A Red iridium phosphor material, its preparation method and the application of a kind of Nitrogen-Containing Heterocyclic Ligand 烟台显华化工科技有限公司 2017-12-15 CN claimed
CN-108929400-B Nickel catalyst system, high-performance polybutadiene and preparation method thereof 北京化工大学 2023-03-14 CN disclosed
CN-103342633-B For the preparation of the method for benzofuran compounds CAMBREX KARLSKOGA AB (SE) 2016-05-04 CN disclosed