SCHEMBL16676599

SCHEMBL16676599

COC(C)CCC(C)OC(=O)C(C)CCC(C)OC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.36
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL6386008 0.79 GABRR1 (0.52) GABRR1CYP1A2
SCHEMBL22036163 0.77 GABRR1 (0.34) FAAHGABRR1CYP1A2
SCHEMBL9012298 0.76 FAAH (0.44) FAAHCNR1CNR2
SCHEMBL9511255 0.74 GABRR1 (0.46) FAAHGABRR1CYP1A2CNR1CNR2
SCHEMBL27531934 0.72 MAPK1 (0.32)
SCHEMBL7105090 0.71 SMN1; SMN2 (0.46) GABRR1CYP1A2
SCHEMBL4739524 0.70 FAAH (0.40) FAAH
SCHEMBL14764032 0.70 FAAH (0.43) FAAHCNR1CNR2
SCHEMBL2990052 0.70 FAAH (0.40) FAAH
SCHEMBL2988148 0.70 FAAH (0.40) FAAH

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-2015058832-A1 METHOD OF PREPARING A BIREFRINGENT POLYMER FILM MERCK PATENT GMBH (DE) 2015-04-30 WO disclosed