SCHEMBL5530289

SCHEMBL5530289

O=C(CCc1ccc([PH](=O)O)cc1)OCCO

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.53
▸ CYP4F2 P78329 2/20 0.51
▸ CYP4A11 Q02928 2/20 0.51
▸ APP P05067 2/20 0.45
▸ ALOX5 P09917 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP4Z1 Q86W10 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ FFAR1 O14842 2/20 0.36
▸ MAPT P10636 1/20 0.35

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 0.80 TDP1 (0.59) TDP1CYP4F2CYP4A11APPALOX5
SCHEMBL29048887 0.79 TDP1 (0.58) TDP1CYP4F2CYP4A11APPALOX5
SCHEMBL5529861 0.79 CYP4F2 (0.46) TDP1CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL6425149 0.78 TDP1 (0.85) TDP1CYP4F2CYP4A11APPALOX5
SCHEMBL5526759 0.75 CA2 (0.50) TDP1CYP4F2CYP4A11ALOX5ALDH1A1
SCHEMBL65140 0.74 FFAR1 (0.59) LMNAL3MBTL1FFAR1
Toluene SCHEMBL10792850 0.74 TDP1 (0.65) TDP1CYP4F2CYP4A11APPALOX5
SCHEMBL4344239 0.74 TDP1 (0.51) TDP1CYP4F2CYP4A11APPALOX5
SCHEMBL28390911 0.73 FFAR1 (0.57) LMNAL3MBTL1FFAR1
SCHEMBL28370869 0.73 FFAR1 (0.57) LMNAL3MBTL1FFAR1

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
US-20070194479-A1 Thermoplastic Resin Composition For Masterbatches, Method Of Producing Molding Material Thereof, And Thermoplastic Resin Composition Using Them And Method Of Production Thereof TOYO BOSEKI KABUSHIKI KAISHA (JP) 2007-08-23 — — US disclosed
EP-1693403-A1 THERMOPLASTIC RESIN COMPOSITION FOR MASTERBATCH, PROCESS FOR PRODUCING MOLDING MATERIAL COMPRISING THE SAME, THERMOPLASTIC RESIN COMPOSITION OBTAINED WITH THE SAME, AND PROCESS FOR PRODUCING THE COMPOSITION Toyo Boseki Kabushiki Kaisha (JP) 2006-08-23 — — EP disclosed
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