SCHEMBL14215943

SCHEMBL14215943

O=S(=O)(c1ccc(O)cc1O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.44
PTGS1 P23219 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
CES2 O00748 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
DNMT1 P26358 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL14215947 0.82 ESR1 (0.36) PDK2PTGS1POLBGAAGFER
SCHEMBL3480246 0.82 KAT6A (0.38) PTGS1ESR1ESR2ALDH1A1MIF
SCHEMBL11420060 0.81 HSD17B10 (0.43) PDK2PDK1PDK3PDK4POLB
SCHEMBL9694363 0.81 ALDH1A1 (0.40) POLBGAAGFERESR1ESR2
SCHEMBL6264610 0.77 CA2 (0.43) POLBGAAGFERALPLALPI
SCHEMBL14215944 0.77 ESR1 (0.33) PDK2PTGS1HSP90AA1PDK1PDK3
SCHEMBL30678708 0.76 ALPL (0.52) PDK2PTGS1HSP90AA1PDK1PDK3
SCHEMBL278795 0.76 ALPL (0.52) PDK2PTGS1HSP90AA1PDK1PDK3
SCHEMBL27495416 0.75 CA2 (0.42) POLBGAAGFERALPLALPI
SCHEMBL1491209 0.74 CA2 (0.50) PDK2PTGS1HSP90AA1PDK1PDK3

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-7378154-B2 Radiation transparent glass, polycarbonate, polyethylene terephthalate, acrylic, methyl cellulose or polycycloolefin substrate, a fluoropolymer layer containing and a rare earth metal compound, and a low refractive index layer; fluorescence; light amplification; improved efficiency; light emitting diodes DAIKIN INDUSTRIES, LTD. (JP) 2008-05-27 US disclosed