SCHEMBL5267244

SCHEMBL5267244

CC(CCO)OC(=O)COc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL5267824 0.87 MAPT (0.60) MAPTL3MBTL1ALDH1A1ALOX15MEN1
SCHEMBL13784551 0.84 MAPT (0.60) MAPTL3MBTL1ALDH1A1ALOX15POLB
SCHEMBL8544797 0.83 MAPT (0.59) MAPTL3MBTL1ALDH1A1ALOX15POLB
SCHEMBL272026 0.82 MAPT (0.81) MAPTL3MBTL1ALDH1A1ALOX15MEN1
SCHEMBL13444683 0.79 MAPT (0.55) MAPTL3MBTL1ALDH1A1ALOX15MEN1
SCHEMBL9168331 0.79 MAPT (0.62) MAPTL3MBTL1ALDH1A1ALOX15MEN1
SCHEMBL10771802 0.79 MAPT (0.62) MAPTL3MBTL1ALDH1A1ALOX15MEN1
SCHEMBL28122337 0.79 MAPT (0.62) MAPTL3MBTL1ALDH1A1ALOX15MEN1
SCHEMBL11649910 0.79 MAPT (0.62) MAPTL3MBTL1ALDH1A1ALOX15MEN1
SCHEMBL28425776 0.78 MAPT (0.60) MAPTL3MBTL1ALDH1A1ALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310512-A Derivatives of acetic and propionic acids, compositions containing same and use as malodor counteractants BUSH BOAKE ALLEN INC. (US) 1982-01-12 US claimed
EP-1167507-B1 Malodor counteractant compositions and methods for preparing and using same BUSH BOAKE ALLEN INC (US) 2007-10-10 EP disclosed
US-6432891-B1 INTRODUCING INTO SOLID OR LIQUID, SOAP OR DETERGENT COMPOUND SELECTED FROM 1-CYCLOHEXYL-ETHYLBUTYRATE, 1-CYCLOHEXYL-ETHYLACETATE, 1-CYCLOHEXYL-ETHANOL, 4-ISOPROPYL-CYCLOHEXYLPROPIONATE BUSH BOAKE ALLEN INC., 2002-08-13 US disclosed
US-20020032131-A1 Malodor counteractant compositions and methods for preparing and using same BUSH BOAKE ALLEN INC. 2002-03-14 US disclosed
EP-1167507-A2 Malodor counteractant compositions and methods for preparing and using same Bush Boake Allen Inc. (US) 2002-01-02 EP disclosed
US-4310512-A Derivatives of acetic and propionic acids, compositions containing same and use as malodor counteractants BUSH BOAKE ALLEN INC. (US) 1982-01-12 US disclosed