SCHEMBL25670941

SCHEMBL25670941

CCC(CC(C)(C)C(CC)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.47
MAPK1 P28482 1/20 0.47
SLC1A2 P43004 4/20 0.41
SLC1A1 P43005 4/20 0.41
SLC1A3 P43003 3/20 0.41
TDP1 Q9NUW8 2/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GCLC P48506 2/20 0.33
CA1 P00915 3/20 0.32
GRIK1 P39086 3/20 0.32

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
SCHEMBL3914888 0.80 CA2 (0.56) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL27573194 0.78 CA2 (0.38) CA2MAPK1SLC1A2SLC1A1SLC1A3
Chloromethane SCHEMBL28143162 0.77 CA2 (0.64) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL6114 0.76
SCHEMBL11320282 0.76 TSHR (0.33) CA2MAPK1TSHR
SCHEMBL9104718 0.76 CA2 (0.52) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL12242084 0.75 CA2 (0.31) CA2MAPK1
SCHEMBL23244999 0.74 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL13695305 0.74 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL10830603 0.74 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1SLC1A3

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-11649336-B2 Recycling of superabsorbent polymer with an extensional flow device THE PROCTER & GAMBLE COMPANY (US) 2023-05-16 US disclosed