SCHEMBL28068757

SCHEMBL28068757

O=C(O)CCCC(=O)OCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
SLC22A6 Q4U2R8 1/20 0.46
HTT P42858 1/20 0.43
LMNA P02545 3/20 0.40
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
PAM P19021 2/20 0.37
NPC1 O15118 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CAMK2A Q9UQM7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL9449439 0.96 LMNA (0.46) TSHRSLC22A6HTTLMNANFKB1
SCHEMBL5791835 0.91 HTT (0.50) TSHRHTTLMNAPAMKMT2A
SCHEMBL9592005 0.87 HTT (0.46) TSHRHTTLMNAKMT2AMEN1
Succinic Acid SCHEMBL2032259 0.87 HTT (0.46) TSHRHTTLMNAKMT2AMEN1
SCHEMBL509013 0.87 HTT (0.50) TSHRHTTLMNAPAMKMT2A
SCHEMBL6297122 0.85 HTT (0.48) TSHRHTTLMNAPAMKMT2A
SCHEMBL4951808 0.82 HTT (0.54) TSHRHTTLMNANPC1KMT2A
SCHEMBL2032263 0.82 HTT (0.42) TSHRHTTLMNAKMT2AMEN1
SCHEMBL27609186 0.81 HTT (0.45) TSHRHTTLMNAKMT2AMEN1
SCHEMBL2691702 0.79 DGKA (0.50) TSHRHTTLMNAPAMKMT2A

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
CN-103229261-B The manufacture method of electric charge keeping medium 旭硝子株式会社 2016-07-06 CN disclosed