SCHEMBL9700469

SCHEMBL9700469

CCCCCCCC/C=C\CCCCCCCCc1nccn1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
FAAH O00519 5/20 0.36
CES1 P23141 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL9700482 1.00 MGLL (0.37) MGLLFAAHCES1TLR7TRPV1
SCHEMBL5297925 0.91 TLR7 (0.40) TLR7
SCHEMBL9368609 0.91 TLR7 (0.40) TLR7
SCHEMBL5283427 0.91 TLR7 (0.40) TLR7
SCHEMBL9368362 0.91 TLR7 (0.40) TLR7
SCHEMBL5301036 0.91 TLR7 (0.40) TLR7
SCHEMBL9444351 0.89 TLR7 (0.39) TLR7
SCHEMBL7574680 0.89 FAAH (0.38) MGLLFAAHCES1
SCHEMBL9369143 0.81 MGLL (0.35) MGLLFAAHCES1TRPV1
SCHEMBL9368080 0.81 MGLL (0.35) MGLLFAAHCES1TRPV1

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
EP-0518458-A1 Fatty imidazolium salts TEXACO CHEMICAL COMPANY (US) 1992-12-16 EP disclosed