SCHEMBL8435245

SCHEMBL8435245

CCCCCCCC=Cn1c(=O)c(C)cn(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
TK1 P04183 1/20 0.42
FAAH O00519 5/20 0.39
TRPV1 Q8NER1 1/20 0.35
CYP2D6 P10635 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33
ALDH1A1 P00352 4/20 0.33
F7 P08709 3/20 0.33
F3 P13726 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
DUSP3 P51452 1/20 0.33
PTPN7 P35236 1/20 0.33
FFAR1 O14842 1/20 0.33
FABP3 P05413 1/20 0.33

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
SCHEMBL8077207 0.75 MGLL (0.44) MGLLTK1FAAHTRPV1SOAT2
SCHEMBL8076046 0.72 ADORA2B (0.51) LMNASMN1; SMN2CYP3A4TSHRHSD17B10
SCHEMBL8952269 0.72 ADORA2B (0.51) LMNASMN1; SMN2CYP3A4TSHRHSD17B10
SCHEMBL8072026 0.72 ADORA2B (0.51) LMNASMN1; SMN2CYP3A4TSHRHSD17B10
SCHEMBL8435242 0.71 MGLL (0.40) MGLLTK1FAAHLMNAALDH1A1
SCHEMBL8070636 0.69 MGLL (0.36) MGLLFAAHALDH1A1CYP3A4HPGD
SCHEMBL8070629 0.69 MGLL (0.36) MGLLFAAHALDH1A1CYP3A4HPGD
SCHEMBL2543005 0.69 MGLL (0.39) MGLLFAAHTRPV1LMNAALDH1A1
SCHEMBL5245940 0.65 MGLL (0.62) MGLLTK1FAAHTRPV1DUSP3
SCHEMBL2814738 0.65 MGLL (0.62) MGLLTK1FAAHTRPV1DUSP3

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
US-5859017-A PREVENTING OR TREATING ALLERGIES; INHIBITING INTRACELLULAR GENERATION OF PHOSPHATIDIC ACID AND DIACYLGLYCEROL CELL THERAPEUTICS, INC. (US) 1999-01-12 US disclosed
US-5521315-A Olefin substituted long chain compounds CELL THERAPEUTICS, INC. (US) 1996-05-28 US disclosed