SCHEMBL2493620

SCHEMBL2493620

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCNC(=O)CCC/C=C\C/C=C\CC=CCC=CC/C=C\CC

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.79
▸ ALDH1A1 P00352 4/20 0.73
▸ FAAH O00519 3/20 0.64
▸ CNR2 P34972 2/20 0.63
▸ TRPM8 Q7Z2W7 1/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ KCNK3 O14649 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ TRPV1 Q8NER1 1/20 0.63
▸ MAPT P10636 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ EPHX2 P34913 1/20 0.61

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
SCHEMBL12318762 1.00 CNR1 (0.79) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL12319236 0.93 CNR1 (0.83) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL2190944 0.93 CNR1 (0.69) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL15253154 0.90 CNR1 (0.75) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL17292259 0.90 CNR1 (0.75) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL15557719 0.90 CNR1 (0.75) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL17292254 0.90 CNR1 (0.75) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL15253153 0.90 CNR1 (0.75) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL14958854 0.90 CNR1 (0.82) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL12685101 0.90 CNR1 (0.69) CNR1ALDH1A1FAAHCNR2TRPM8

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-2011106688-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-09-01 — — WO disclosed
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