SCHEMBL6228560

SCHEMBL6228560

COc1ccc2c(C3(F)C(F)=C(F)C(F)(F)C3(F)F)c(C)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRNP P04156 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ APP P05067 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 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
SCHEMBL5089716 0.78 PRNP (0.36) PRNPTSHRMAPK1PPARGHTT
SCHEMBL5091528 0.74 TSHR (0.39) PRNPTSHRMAPK1PPARGHTT
SCHEMBL5091484 0.70 L3MBTL1 (0.38) PRNPTSHRMAPK1PPARGHTT
SCHEMBL14409807 0.70 CES2 (0.51) PRNPTSHRMAPK1PPARGHTT
SCHEMBL5089818 0.67 TSHR (0.45) PRNPTSHRMAPK1PPARGHTT
SCHEMBL2129508 0.67 TSHR (0.45) PRNPTSHRMAPK1PPARGHTT
SCHEMBL5242462 0.67 MAPK1 (0.46) PRNPTSHRMAPK1PPARGHTT
SCHEMBL17212279 0.66 ALDH1A1 (0.37) PRNPTSHRMAPK1PPARGHTT
SCHEMBL5090816 0.66 L3MBTL1 (0.41) TSHRPPARGHTTNCOA2NPSR1
SCHEMBL17340891 0.65 TSHR (0.43) PRNPTSHRMAPK1PPARGHTT

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-1517977-A1 PHOTOCHROMIC LIQUID CRYSTALS Qinetiq Limited (GB) 2005-03-30 — — EP disclosed
WO-2004003107-A1 POTOCHROMIC LIQUID CRYSTALS QINETIQ LIMITED (GB) 2004-01-08 — — WO disclosed
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