SCHEMBL8017485

SCHEMBL8017485

CON=C(CO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
ATM Q13315 1/20 0.47
DRD4 P21917 4/20 0.43
DRD2 P14416 2/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A4 P31645 1/20 0.40
FFAR1 O14842 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
PPARA Q07869 1/20 0.36

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
SCHEMBL2046347 0.85 DRD4 (0.50) GSK3BATMDRD4DRD2LMNA
SCHEMBL2046346 0.85 DRD4 (0.50) GSK3BATMDRD4DRD2LMNA
SCHEMBL18193565 0.83 ATM (0.63) GSK3BATMDRD4DRD2LMNA
SCHEMBL8459687 0.83 ATM (0.63) GSK3BATMDRD4DRD2LMNA
SCHEMBL2045803 0.82 DRD4 (0.48) GSK3BATMDRD4DRD2LMNA
SCHEMBL22668297 0.82 GSK3B (0.46) GSK3BATMDRD4DRD2LMNA
SCHEMBL434112 0.82 GSK3B (0.70) GSK3BATMDRD4DRD2LMNA
SCHEMBL14886981 0.82 GSK3B (0.46) GSK3BATMDRD4DRD2LMNA
SCHEMBL2045805 0.82 DRD4 (0.48) GSK3BATMDRD4DRD2LMNA
SCHEMBL28778258 0.82 GSK3B (0.70) GSK3BATMDRD4DRD2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed