SCHEMBL27746752

SCHEMBL27746752

CCCOC(=O)C(C)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
PTGS2 P35354 6/20 0.67
AKR1C3 P42330 5/20 0.64
AKR1C2 P52895 5/20 0.64
PTGS1 P23219 3/20 0.64
TSHR P16473 2/20 0.64
CDC42 P60953 1/20 0.64
RAC1 P63000 1/20 0.64
CYP1A2 P05177 1/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
AKR1C1 Q04828 1/20 0.56

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
SCHEMBL1246306 1.00 TDP1 (0.68) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL9289868 0.93 PTGS2 (0.66) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL9239307 0.93 PTGS2 (0.66) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL13109330 0.92 PTGS2 (0.62) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
Hno SCHEMBL31072088 0.91 PTGS2 (0.63) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL13089018 0.91 PTGS2 (0.63) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL13592731 0.90 TDP1 (0.69) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL9243075 0.89 PTGS2 (0.62) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL11718787 0.89 PTGS2 (0.62) TDP1L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL10733997 0.89 PTGS2 (0.62) TDP1L3MBTL1PTGS2AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101486643-B Trans naproxen ester, optical isomer thereof, as well as preparation and use thereof UNIV HUNAN 2012-08-15 CN disclosed
CN-101486643-A Trans naproxen ester, optical isomer thereof, as well as preparation and use thereof UNIV HUNAN (CN) 2009-07-22 CN disclosed