SCHEMBL6503353

SCHEMBL6503353

C=CC(CCCCCCCC)OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
ABCB1 P08183 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
FFAR1 O14842 1/20 0.40
PRKCA P17252 2/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
GLS2 Q9UI32 1/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL16177782 1.00 FAAH (0.41) FAAHABCB1GPR84FFAR1PRKCA
SCHEMBL28416992 1.00 FAAH (0.41) FAAHABCB1GPR84FFAR1PRKCA
SCHEMBL8152281 1.00 FAAH (0.41) FAAHABCB1GPR84FFAR1PRKCA
SCHEMBL15689858 1.00 FAAH (0.41) FAAHABCB1GPR84FFAR1PRKCA
SCHEMBL111270 0.98 FAAH (0.39) FAAHABCB1GPR84FFAR1PRKCA
SCHEMBL15689848 0.98 FAAH (0.39) FAAHABCB1GPR84FFAR1PRKCA
SCHEMBL15645172 0.98 FAAH (0.39) FAAHABCB1GPR84FFAR1PRKCA
SCHEMBL27545815 0.93 TSHR (0.41) ABCB1PRKCATSHR
SCHEMBL10576490 0.86 GPR84 (0.44) ABCB1GPR84FFAR1ZDHHC7MAPT
SCHEMBL30552399 0.85 PRKCA (0.42) FAAHPRKCAMAPTTSHR

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-2005062811-A2 CATALYTIC SULFOXIDE-PROMOTED C-H OXIDATION, AND REGIOSELECTIVE PREPARATION OF ALLYLIC CARBOXYLATES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-07-14 WO disclosed