SCHEMBL30503590

SCHEMBL30503590

CC(C)Oc1ncccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
NFE2L2 Q16236 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
SLC13A5 Q86YT5 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL23358163 0.86 SCN9A (0.43) ALDH1A1MAPTATMSLC22A12ADRA2A
SCHEMBL13334872 0.84 LRRK2 (0.41) ALOX5APFEN1SLC13A5
SCHEMBL30783187 0.81 DHODH (0.42) SLC22A12NFE2L2
SCHEMBL4623062 0.80 FPR2 (0.46) SLC22A12NFE2L2
SCHEMBL322870 0.79 SLC22A12 (0.55) ALDH1A1MAPTATMSLC22A12NFE2L2
SCHEMBL30440802 0.79 SLC22A12 (0.55) ALDH1A1MAPTATMSLC22A12NFE2L2
SCHEMBL18997797 0.77 SSTR4 (0.48) SLC22A12
SCHEMBL10203045 0.77 SCN9A (0.37) ALDH1A1MAPTATMSLC22A12ADRA2A
SCHEMBL28505112 0.77 FPR2 (0.42) SLC22A12NFE2L2
SCHEMBL10202983 0.77 SCN9A (0.37) ALDH1A1MAPTATMSLC22A12ADRA2A

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-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed