SCHEMBL5133335

SCHEMBL5133335

OB(Oc1cccc(C(F)(F)F)c1)OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
KDM4E B2RXH2 1/20 0.42
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
PPARG P37231 4/20 0.40
PPARA Q07869 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CES2 O00748 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.38
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
NR4A2 P43354 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL8593767 0.90 MGLL (0.53) MGLLKDM4EMAOBAOC3PPARG
SCHEMBL737221 0.86 MGLL (0.53) MGLLKDM4EMAOBAOC3PPARG
SCHEMBL31612146 0.78 MGLL (0.47) MGLLKDM4EMAOBAOC3PPARG
SCHEMBL4980059 0.78 CA1 (0.36) TSHRALDH1A1
SCHEMBL1483908 0.78 MGLL (0.47) MGLLKDM4EMAOBAOC3PPARG
SCHEMBL28564005 0.74 ALDH1A1 (0.39) MGLLKDM4EPPARGPPARAMRGPRX4
SCHEMBL3982548 0.74 MAOB (0.44) MGLLKDM4EMAOBAOC3PPARG
SCHEMBL28493928 0.72 TRPV6 (0.42) MGLLKDM4EPPARGPPARAMRGPRX4
SCHEMBL535445 0.72 TSHR (0.48) MGLLKDM4EMAOBAOC3PPARG
SCHEMBL11527555 0.72 KIF11 (0.51) MGLLKDM4EMAOBAOC3PPARG

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
EP-1919887-A2 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES Girindus America, Inc. (US) 2008-05-14 EP disclosed
WO-2007016423-A2 METHOD FOR ENANTIOSELECTIVE HYDROGENATION OF CHROMENES GIRINDUS AMERICA INC. (US) 2007-02-08 WO disclosed