SCHEMBL29065663

SCHEMBL29065663

CCCC(CBr)OC(=O)OC(CBr)CCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
FAAH O00519 4/20 0.33

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 0.85 CTSK (0.44) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL29065664 0.84 CHRM1 (0.39) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL348985 0.81 PRKCA (0.49) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL21566978 0.79 PRKCA (0.47) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL9184592 0.78 CTSK (0.41) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL11806348 0.77 CTSK (0.36) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL2339946 0.77 CTSK (0.51) CTSKPRKCAPRKCDMAPTMAPK1
SCHEMBL9354419 0.76
SCHEMBL12986881 0.76 CTSK (0.39) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL14991254 0.76 CTSK (0.42) CTSKCHRM1AKR1A1CHRM3HTR2A

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-116685332-A Nanomaterial comprising carbonate 比姆医疗股份有限公司 2023-09-01 CN disclosed