SCHEMBL4344239

SCHEMBL4344239

O=POc1ccc(CCC(=O)OCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.51
▸ CYP4F2 P78329 1/20 0.50
▸ CYP4A11 Q02928 1/20 0.50
▸ APP P05067 2/20 0.44
▸ FFAR1 O14842 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX5 P09917 1/20 0.37
▸ F2RL1 P55085 1/20 0.37

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
SCHEMBL12009646 0.79 TDP1 (0.59) TDP1CYP4F2CYP4A11APPLMNA
SCHEMBL29048887 0.78 TDP1 (0.58) TDP1CYP4F2CYP4A11APPFFAR1
SCHEMBL6425149 0.77 TDP1 (0.85) TDP1CYP4F2CYP4A11APPFFAR1
SCHEMBL7760941 0.77 FFAR1 (0.61) FFAR1LMNAL3MBTL1
SCHEMBL28368266 0.76 FFAR1 (0.59) FFAR1LMNAL3MBTL1
SCHEMBL5530289 0.74 TDP1 (0.53) TDP1CYP4F2CYP4A11APPFFAR1
Toluene SCHEMBL10792850 0.73 TDP1 (0.65) TDP1CYP4F2CYP4A11APPFFAR1
Butanone SCHEMBL8770824 0.72 CYP4F2 (0.60) TDP1CYP4F2CYP4A11APPFFAR1
SCHEMBL15164347 0.71 F2RL1 (0.62) TDP1CYP4F2CYP4A11APPFFAR1
SCHEMBL17107198 0.71 TDP1 (0.68) TDP1CYP4F2CYP4A11APPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090025144-A1 Flame-Retardant Bedding KANEKA CORPORATION (JP) 2009-01-29 — — US disclosed
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