SCHEMBL9239307

SCHEMBL9239307

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

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.66
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
AKR1C3 P42330 5/20 0.62
AKR1C2 P52895 5/20 0.62
PTGS1 P23219 3/20 0.62
TSHR P16473 2/20 0.62
CDC42 P60953 1/20 0.62
RAC1 P63000 1/20 0.62
CYP1A2 P05177 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
AKR1C1 Q04828 1/20 0.55

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
SCHEMBL9289868 1.00 PTGS2 (0.66) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
Hno SCHEMBL31072088 0.97 PTGS2 (0.63) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL13089018 0.97 PTGS2 (0.63) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL9243075 0.96 PTGS2 (0.62) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL10729842 0.96 PTGS2 (0.62) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL10733997 0.96 PTGS2 (0.62) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL11718787 0.96 PTGS2 (0.62) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL13592731 0.94 TDP1 (0.69) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL1246306 0.93 TDP1 (0.68) PTGS2TDP1L3MBTL1AKR1C3AKR1C2
SCHEMBL27746752 0.93 TDP1 (0.68) PTGS2TDP1L3MBTL1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7815933-B2 Self emulsifying drug delivery system NICOX S.A. (FR) 2010-10-19 US disclosed
EP-0143371-B2 Process for the optical resolution of racemic mixtures of alpha-naphthyl-propionic acids ALFA CHEM ITAL (IT) 1995-11-02 EP disclosed
US-4661628-A Process for the optical resolution of racemic mixtures of α-naphthyl-propionic acids ALFA CHEMICALS ITALIANA S.P.A. (IT) 1987-04-28 US disclosed
EP-0143371-A1 Process for the optical resolution of racemic mixtures of alpha-naphthyl-propionic acids Alfa Chemicals Italiana S.r.l. (IT) 1985-06-05 EP disclosed