SCHEMBL11244561

SCHEMBL11244561

CCCCCCCc1ccc(OC(=O)C2CCC(CCCC)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.55
THRA P10827 3/20 0.55
F2 P00734 1/20 0.53
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR4 O95977 2/20 0.44
S1PR5 Q9H228 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ALDH1A1 P00352 2/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL10786522 1.00 THRB (0.55) THRBTHRAF2S1PR1S1PR3
SCHEMBL22396364 1.00 THRB (0.55) THRBTHRAF2S1PR1S1PR3
SCHEMBL9189041 0.97 THRB (0.55) THRBTHRAF2S1PR1S1PR3
SCHEMBL9435191 0.97 THRB (0.55) THRBTHRAF2S1PR1S1PR3
SCHEMBL9435186 0.97 THRB (0.55) THRBTHRAF2S1PR1S1PR3
SCHEMBL11412939 0.96 THRB (0.52) THRBTHRAF2S1PR1S1PR3
SCHEMBL11412220 0.96 THRB (0.52) THRBTHRAF2S1PR1S1PR3
SCHEMBL9398375 0.96 F2 (0.54) THRBTHRAF2S1PR1S1PR3
SCHEMBL9398371 0.96 F2 (0.54) THRBTHRAF2S1PR1S1PR3
SCHEMBL4651768 0.96 F2 (0.54) THRBTHRAF2S1PR1S1PR3

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
US-4323472-A ELECTROOPTICAL DISPLAY TIMEX CORPORATION (US) 1982-04-06 US claimed