SCHEMBL5660959

SCHEMBL5660959

COc1ccc2cc([C@@H](O)CO)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.70
TSHR P16473 3/20 0.56
CYP3A4 P08684 1/20 0.56
AKR1C3 P42330 6/20 0.54
AKR1C2 P52895 6/20 0.54
PTGS2 P35354 3/20 0.54
PTGS1 P23219 3/20 0.54
CYP1A2 P05177 2/20 0.54
CDC42 P60953 1/20 0.54
RAC1 P63000 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
AKR1C1 Q04828 1/20 0.54
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX5 P09917 2/20 0.48
CYP2A6 P11509 1/20 0.47

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
SCHEMBL5661148 1.00 ABCB11 (0.70) ABCB11TSHRCYP3A4AKR1C3AKR1C2
SCHEMBL5661142 1.00 ABCB11 (0.70) ABCB11TSHRCYP3A4AKR1C3AKR1C2
SCHEMBL15087422 0.86 AKR1C3 (0.62) ABCB11TSHRAKR1C3AKR1C2PTGS2
SCHEMBL10382340 0.86 AKR1C3 (0.62) ABCB11TSHRAKR1C3AKR1C2PTGS2
SCHEMBL4372787 0.83 AOC3 (0.61) ABCB11TSHRCYP3A4CYP1A2MAPT
SCHEMBL17660055 0.83 AOC3 (0.61) ABCB11TSHRCYP3A4CYP1A2MAPT
SCHEMBL6482817 0.83 AOC3 (0.61) ABCB11TSHRCYP3A4CYP1A2MAPT
Naproxol SCHEMBL10395753 0.82 ABCB11 (1.00) ABCB11TSHRAKR1C3AKR1C2PTGS2
Naproxol SCHEMBL30599771 0.82 ABCB11 (1.00) ABCB11TSHRAKR1C3AKR1C2PTGS2
Naproxol SCHEMBL29979997 0.82 ABCB11 (1.00) ABCB11TSHRAKR1C3AKR1C2PTGS2

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
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
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