Toluene

Toluene

SCHEMBL10792850

Cc1ccc(CCC(=O)OCCO)cc1.Cc1ccccc1

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.65
▸ CYP4F2 P78329 1/20 0.58
▸ CYP4A11 Q02928 1/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ APP P05067 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ RAB9A P51151 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ PLAAT3 P53816 1/20 0.47
▸ PLAAT5 Q96KN8 1/20 0.47
▸ PLAAT2 Q9NWW9 1/20 0.47
▸ PLAAT4 Q9UL19 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ FFAR1 O14842 2/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL6425149 0.87 TDP1 (0.85) TDP1CYP4F2CYP4A11APPMAPT
Butanone SCHEMBL8770824 0.87 CYP4F2 (0.60) TDP1CYP4F2CYP4A11L3MBTL1APP
Acetic Acid Butyl Ester SCHEMBL11190343 0.86 CYP4F2 (0.50) TDP1CYP4F2CYP4A11L3MBTL1APP
SCHEMBL11985733 0.82 TDP1 (0.59) TDP1CYP4F2CYP4A11L3MBTL1APP
SCHEMBL24988200 0.81 CYP4F2 (0.60) TDP1CYP4F2CYP4A11L3MBTL1APP
Toluene SCHEMBL27707297 0.80 L3MBTL1 (0.46) TDP1CYP4F2CYP4A11L3MBTL1MAPT
SCHEMBL31498306 0.80 TDP1 (0.72) TDP1CYP4F2CYP4A11APPMAPT
SCHEMBL28182817 0.80 TDP1 (1.00) TDP1APPMAPTALDH1A1ALOX5
SCHEMBL12009646 0.79 TDP1 (0.59) TDP1CYP4F2CYP4A11APPKDM4E
SCHEMBL22109660 0.79 TDP1 (0.53) TDP1CYP4F2CYP4A11L3MBTL1APP

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-4636431-A ULTRAVIOLET ABSORBER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-01-13 — — US disclosed
US-4585693-A Polymer-bound ultraviolet stabilizer coating compositions containing cross linkers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-04-29 — — US disclosed
US-4577007-A PHOTOSTABILITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-03-18 — — US disclosed
EP-0120608-A1 Polymer-bound ultraviolet absorbing stabilizer with resorcinol monobenzoate E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-03 — — EP disclosed
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