SCHEMBL6829965

SCHEMBL6829965

CCCCCCCCCCCCCCCCCCSC(CC1C(C)=CCCC1(C)C)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX1 P07099 1/20 0.35
PTPN1 P18031 1/20 0.32
CDC25A P30304 1/20 0.32
DUSP3 P51452 1/20 0.32
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12484226 1.00 ALOX15 (0.37) ALOX15ALDH1A1CYP3A4TDP1EPHX1
SCHEMBL12484222 0.81 EPHX1 (0.42) ALOX15ALDH1A1CYP3A4TDP1EPHX1
SCHEMBL6829962 0.81 EPHX1 (0.42) ALOX15ALDH1A1CYP3A4TDP1EPHX1
SCHEMBL30118443 0.78 ALDH1A1 (0.38) ALOX15ALDH1A1CYP3A4TDP1EPHX1
SCHEMBL12484163 0.75 ALDH1A1 (0.37) ALOX15ALDH1A1CYP3A4TDP1EPHX1
SCHEMBL17223658 0.73 ALOX15 (0.43) ALOX15ALDH1A1CYP3A4TDP1PTPN1
SCHEMBL18039295 0.73 EPHX1 (0.38) ALOX15ALDH1A1CYP3A4TDP1EPHX1
SCHEMBL1888620 0.73 EPHX1 (0.38) ALOX15ALDH1A1CYP3A4TDP1EPHX1
SCHEMBL13896957 0.71 ALDH1A1 (0.38) ALOX15ALDH1A1CYP3A4TDP1EPHX1
SCHEMBL21859115 0.70 EPHX1 (0.34) EPHX1

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
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP disclosed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 WO disclosed