SCHEMBL6829962

SCHEMBL6829962

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 0.31
CDC25A P30304 1/20 0.31
DUSP3 P51452 1/20 0.31
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
STAT3 P40763 1/20 0.30
CES2 O00748 1/20 0.30
GMNN O75496 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
BLM P54132 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL12484222 1.00 EPHX1 (0.42) EPHX1ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL1888620 0.81 EPHX1 (0.38) EPHX1ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL12484226 0.81 ALOX15 (0.37) EPHX1ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL6829965 0.81 ALOX15 (0.37) EPHX1ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL18039295 0.81 EPHX1 (0.38) EPHX1ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL13896957 0.79 ALDH1A1 (0.38) EPHX1ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL6830360 0.78 ALOX15 (0.43) ALOX15ALDH1A1CYP3A4TDP1CDC25A
SCHEMBL11857479 0.78 ALOX15 (0.39) ALOX15ALDH1A1CYP3A4TDP1CDC25A
SCHEMBL30118443 0.77 ALDH1A1 (0.38) EPHX1ALOX15ALDH1A1CYP3A4TDP1
SCHEMBL12484163 0.74 ALDH1A1 (0.37) EPHX1ALOX15ALDH1A1CYP3A4TDP1

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