SCHEMBL24286170

SCHEMBL24286170

CCCC(C)(C)CC(C(=O)O)C(C)(C)CC

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSPD1 P10809 1/20 0.30
BLM P54132 1/20 0.30
HSPE1 P61604 1/20 0.30

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
SCHEMBL9883117 0.86 CA2 (0.30) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL20689733 0.85 CA2 (0.37) CA2MAPK1HSPD1BLMHSPE1
SCHEMBL14533583 0.85 CA2 (0.31) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL12473062 0.84 TDP1 (0.33) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL15060853 0.81 LMNA (0.34)
SCHEMBL12671816 0.80 CA1 (0.37) CA2ADRA1ATDP1
SCHEMBL16281726 0.79 CA2 (0.31) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL13359873 0.79 CA2 (0.31) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL13066278 0.77 L3MBTL1 (0.31) HDAC1HDAC2
SCHEMBL16382108 0.76 CHRM1 (0.33) CA2MAPK1CHRM1AKR1A1CHRM3

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
EP-3666862-B1 LUBRICATING OIL COMPOSITION, INTERNAL COMBUSTION ENGINE, AND LUBRICATION METHOD FOR INTERNAL COMBUSTION ENGINE IDEMITSU KOSAN CO (JP) 2022-04-20 EP disclosed