SCHEMBL8478752

SCHEMBL8478752

CC(C)CC=C(Br)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASF1A Q9Y294 1/20 0.38
HTR2A P28223 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PGR P06401 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.33
XBP1 P17861 2/20 0.33
GRIK1 P39086 1/20 0.33
PTPN1 P18031 1/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
POLB P06746 1/20 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
SCHEMBL28313097 0.79 ASF1A (0.40) ASF1AHTR2AALDH1A1PGRADRA2A
SCHEMBL317823 0.79 MTNR1A (0.47) ASF1AALDH1A1MTNR1AMTNR1B
SCHEMBL14837249 0.78 KDM1A (0.39) ASF1AMTNR1AMTNR1B
SCHEMBL6072978 0.74 ASF1A (0.37) ASF1AALDH1A1SMN1; SMN2MAPTGRIK1
SCHEMBL4631963 0.74 GSK3B (0.38) ALDH1A1SMN1; SMN2MAPTXBP1PTPN1
SCHEMBL4631968 0.74 GSK3B (0.38) ALDH1A1SMN1; SMN2MAPTXBP1PTPN1
SCHEMBL2432464 0.73 ALDH1A1 (0.41) ASF1AHTR2AALDH1A1PGRADRA2A
SCHEMBL891343 0.73 ALDH1A1 (0.41) ASF1AHTR2AALDH1A1PGRADRA2A
SCHEMBL28788617 0.73 AKT1 (0.39) ASF1AHTR2AALDH1A1PGRADRA2A
SCHEMBL28788613 0.73 AKT1 (0.39) ASF1AHTR2AALDH1A1PGRADRA2A

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
US-5856351-A Artemisinin dimer compounds having anticancer activity WELLS FARGO BANK, N.A. 1999-01-05 US disclosed