SCHEMBL5596863

SCHEMBL5596863

Cc1cc(C)c(P(c2cc(C)cc(C)c2O)c2cc(C)cc(C)c2O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CA2 P00918 2/20 0.37
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37
CA1 P00915 1/20 0.37
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL5596181 0.84 PTPN1 (0.42) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL5596246 0.80 ALDH1A1 (0.46) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL5596850 0.80 NPC1 (0.45) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL5596101 0.78 TP53 (0.54) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL5596340 0.77 CYP3A4 (0.43) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL5596197 0.77 ALDH1A1 (0.48) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL5596189 0.76 HTT (0.38) ALDH1A1GAAMAPTTP53TDP1
SCHEMBL301709 0.75 RAPGEF4 (0.43) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL5596982 0.74 TDP1 (0.39) ALDH1A1GAAKDM4ELMNAMAPT
Bromide SCHEMBL3679642 0.73 RAPGEF4 (0.41) ALDH1A1GAAKDM4ELMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252475-B2 Separator comprising a metal sheet and a resin NITTA CORPORATION (JP) 2012-08-28 US disclosed
US-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20070212589-A1 Seperator NITTA CORPORATION (JP) 2007-09-13 US disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 EP disclosed