SCHEMBL6943329

SCHEMBL6943329

CC(C)[C@H](O)CCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.61
CYP4A11 Q02928 1/20 0.61
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAOB P27338 4/20 0.53
BCHE P06276 6/20 0.50
CYP2D6 P10635 1/20 0.49
PTGES O14684 1/20 0.49
FFAR1 O14842 1/20 0.49
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
NR4A2 P43354 1/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL10235916 0.83 CYP2D6 (0.49) KMT2ACYP2D6
SCHEMBL5477927 0.82 TAAR1 (0.56) CYP2D6ABCB1HTR1ADRD2
SCHEMBL611119 0.82 TAAR1 (0.45) CYP4F2CYP4A11CYP2D6
SCHEMBL6624802 0.79 CYP4F2 (0.59) CYP4F2CYP4A11MEN1KMT2AMAOB
SCHEMBL17386027 0.79 CYP4F2 (0.59) CYP4F2CYP4A11MEN1KMT2AMAOB
SCHEMBL108917 0.78 TRPA1 (0.50) MEN1KMT2ACYP2D6HTR1A
SCHEMBL10257696 0.77 ACACB (0.40) CYP2D6CYSLTR1ALOX5
SCHEMBL3179250 0.77 CYP4F2 (1.00) CYP4F2CYP4A11MEN1KMT2AMAOB
SCHEMBL327570 0.77 CYP4F2 (0.70) CYP4F2CYP4A11MAOBBCHEFFAR1
SCHEMBL6499912 0.77 CYP4F2 (0.53) CYP4F2CYP4A11MEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed