SCHEMBL9183293

SCHEMBL9183293

CCCC(CCC)OC(=O)OC(C)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.38
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL4654249 0.87 CTSK (0.44) CTSKPRKCAPRKCDCHRM1AKR1A1
SCHEMBL12185933 0.83 FAAH (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10666652 0.83 FAAH (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4059092 0.83 CTSK (0.33) CTSK
SCHEMBL12986881 0.81 CTSK (0.39) CTSKPRKCAPRKCDCHRM1AKR1A1
SCHEMBL9184592 0.79 CTSK (0.41) CTSKPRKCAPRKCDCHRM1AKR1A1
SCHEMBL6894951 0.79 CTSK (0.38) CTSKPRKCAPRKCDCHRM1AKR1A1
SCHEMBL609519 0.79 TSHR (0.38) TSHRLMNA
SCHEMBL11806348 0.78 CTSK (0.36) CTSKPRKCAPRKCDCHRM1AKR1A1
SCHEMBL13039899 0.78 MAPT (0.33) CHRM1TSHR

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
EP-0665847-A1 CEPHEM COMPOUNDS, AND THEIR PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-09 EP disclosed
WO-1994010177-A1 CEPHEM COMPOUNDS, AND THEIR PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 WO disclosed