SCHEMBL14515275

SCHEMBL14515275

COc1ccc2cc([C@@H](COC(C)=O)OC(C)=O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
AKR1C3 P42330 7/20 0.51
AKR1C2 P52895 7/20 0.51
PTGS2 P35354 4/20 0.51
PTGS1 P23219 3/20 0.51
TSHR P16473 2/20 0.51
CYP1A2 P05177 2/20 0.51
CDC42 P60953 1/20 0.51
RAC1 P63000 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
AKR1C1 Q04828 1/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
CYP2C9 P11712 1/20 0.49
ABCB11 O95342 1/20 0.49
ALOX5 P09917 2/20 0.46
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL14515274 1.00 TDP1 (0.55) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL14515273 1.00 TDP1 (0.55) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL14515279 0.83 AKR1C3 (0.54) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL14515277 0.83 AKR1C3 (0.54) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL10396796 0.83 ABCB11 (0.63) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL10586524 0.83 ABCB11 (0.63) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL14515281 0.83 AKR1C3 (0.54) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL13225230 0.78 AKR1C3 (0.62) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
SCHEMBL16606277 0.77 PTPN1 (0.42) TDP1PTGS2PTGS1TSHRCYP1A2
SCHEMBL11866116 0.75 AKR1C3 (0.59) TDP1L3MBTL1AKR1C3AKR1C2PTGS2

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-8741593-B2 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2014-06-03 US disclosed
US-8741593-B2 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2014-06-03 US disclosed
EP-1285086-B1 METHOD FOR LIBERATING A PRODUCT COMPRISING A CHEMICAL OXYDATION, DETECTION OF THE PRODUCT AND FURTHER APPLICATIONS PROTEUS (FR) 2013-07-03 EP disclosed
US-20070099257-A1 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2007-05-03 US disclosed
US-20070099257-A1 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2007-05-03 US disclosed