SCHEMBL8549769

SCHEMBL8549769

CC(C)(I)Oc1ccc(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 1/20 0.41
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
S1PR4 O95977 1/20 0.39
HSD11B1 P28845 1/20 0.37
HSD11B2 P80365 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
PDE2A O00408 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CCR2 P41597 1/20 0.33
RORC P51449 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL24252062 0.86 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL8396955 0.79 EPHX2 (0.50) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL2824526 0.77 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL17107500 0.77 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL22705604 0.77 PPARG (0.43) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL1417566 0.76 PPARA (0.56) PPARGPPARAHSD11B1HSD11B2KMT2A
SCHEMBL7928216 0.76 PPARG (0.41) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL2828182 0.75 HSD11B1 (0.46) PPARGPPARAS1PR4HSD11B1HSD11B2
SCHEMBL1765256 0.74 LMNA (0.50) SLC6A4SLC6A2SLC6A3KCNH2PPARG
SCHEMBL13310617 0.73 S1PR4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2PPARG

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
EP-0850229-A1 PYRIMIDIN-4-ONE DERIVATIVES, THEIR USE AS HERBICIDES, INTERMEDIATES FOR THEIR PRODUCTION AND PROCESSES FOR PRODUCING THESE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-01 EP disclosed