SCHEMBL28224067

SCHEMBL28224067

CC(=O)F.CCCC(N)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37

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
Acetic Acid SCHEMBL11803297 0.87 CHRM1 (0.46) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL28944007 0.84
SCHEMBL14964219 0.84
SCHEMBL133123 0.84
Hydrochloric Acid SCHEMBL9221283 0.81
Bromide SCHEMBL20499886 0.81
Ammonia Solution, Strong SCHEMBL28193932 0.81
Water SCHEMBL7046666 0.81
Butane SCHEMBL9870581 0.81 METAP1 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL8570780 0.81

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-104271742-B Micro RNA inhibitors 株式会社博纳克 2018-06-05 CN disclosed