SCHEMBL5866199

SCHEMBL5866199

COc1ccc(S2(OS(=O)(=O)C(F)(F)C(F)(F)C3CC4CCC3C4)CCCC2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
HSP90AA1 P07900 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.30

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
SCHEMBL5866206 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1TSHRMAPK1
SCHEMBL447053 0.88 SLC2A1 (0.33) ALDH1A1MEN1TSHRHTTKMT2A
SCHEMBL36503 0.80 ALDH1A1 (0.39) ALDH1A1MAPK1NPC1
SCHEMBL702252 0.79 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1TSHRMAPK1
SCHEMBL704510 0.78 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1TSHRMAPK1
SCHEMBL4992965 0.77 SLC6A4 (0.34)
SCHEMBL17183021 0.74 CACNA1B (0.31)
SCHEMBL2542343 0.73 MEN1 (0.33) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL5866195 0.73 ALDH1A1 (0.34) ALDH1A1HSP90AA1KDM4EMEN1TSHR
SCHEMBL1532849 0.70

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-7144675-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-12-05 US disclosed