SCHEMBL7528744

SCHEMBL7528744

O=C(O)c1ccc(-c2ccc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.45
PTPN11 Q06124 2/20 0.41
PPARD Q03181 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4B P0C869 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
RARB P10826 4/20 0.37
PDK2 Q15119 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
SCHEMBL6749810 0.83 LMNA (0.51) PPARDMRGPRX4TSHRHTTLMNA
SCHEMBL25788217 0.81 PKM (0.53) TP53TSHRPLA2G4BHTTMAPK1
SCHEMBL4872013 0.81 RARB (0.59) TP53TSHRPLA2G4BHTTRARB
SCHEMBL7528750 0.75 HDAC1 (0.41) FFAR4PTPN11PRKAB2PRKAG1PRKAA2
SCHEMBL6001958 0.75 RARB (0.41) PTPN11PPARDMRGPRX4RARB
SCHEMBL6749716 0.74 PLA2G2D (0.41) PTPN11PPARDMRGPRX4RARB
SCHEMBL9187863 0.73 RARB (0.51) TP53TSHRPLA2G4BHTTMAPK1
SCHEMBL25788298 0.72 PLA2G2D (0.43) PTPN11TSHRHTTLMNAMAPK1
SCHEMBL8759215 0.72 HPGD (0.52) PPARDHTTLMNAMAPK1
SCHEMBL11967109 0.72 PLA2G2D (0.39) PTPN11TSHR

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
WO-2002018514-A1 PARTIALLY FLUORINATED LIQUID CRYSTAL MATERIAL DISPLAYTECH, INC. (US) 2002-03-07 WO disclosed