SCHEMBL28548859

SCHEMBL28548859

CCCCCCc1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR35 Q9HC97 4/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL29134042 0.91 ALDH1A1 (0.46) LMNAMAPK1ALDH1A1MAPTTSHR
SCHEMBL8402794 0.83 ALDH1A1 (0.40) SMN1; SMN2NPSR1LMNAMAPK1ALDH1A1
SCHEMBL8400705 0.83 ALDH1A1 (0.40) SMN1; SMN2NPSR1LMNAMAPK1ALDH1A1
SCHEMBL7898098 0.82 ALDH1A1 (0.50) LMNAMAPK1ALDH1A1MAPTTSHR
SCHEMBL7901277 0.82 ALDH1A1 (0.50) LMNAMAPK1ALDH1A1MAPTTSHR
SCHEMBL7901269 0.82 ALDH1A1 (0.50) LMNAMAPK1ALDH1A1MAPTTSHR
SCHEMBL19666780 0.81 MAPT (0.40) SMN1; SMN2NPSR1LMNAMAPK1ALDH1A1
SCHEMBL28885275 0.80 CYP1A2 (0.45) SMN1; SMN2MAPK1ALDH1A1MAPTCA12
SCHEMBL19680128 0.79 NR1H2 (0.51) SMN1; SMN2MAPTCA12CA1CA2
SCHEMBL11563077 0.78 MAPT (0.52) SMN1; SMN2NPSR1MAPK1ALDH1A1MAPT

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
CN-111795874-B Sampler for brominated flame retardant in indoor air and sampling and measuring method thereof 南开大学 2021-05-07 CN disclosed
CN-111795874-A Sampler for brominated flame retardant in indoor air and sampling and measuring method thereof 南开大学 2020-10-20 CN disclosed