SCHEMBL12478623

SCHEMBL12478623

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.73
▸ ALDH1A1 P00352 3/20 0.59
▸ FAAH O00519 2/20 0.58
▸ CNR2 P34972 2/20 0.58
▸ TRPM8 Q7Z2W7 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KCNK3 O14649 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ TRPV1 Q8NER1 1/20 0.58
▸ MAPT P10636 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ EPHX2 P34913 1/20 0.57

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
SCHEMBL12685101 0.97 CNR1 (0.69) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL14752451 0.96 CNR1 (0.68) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL14752452 0.96 CNR1 (0.68) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL14739566 0.94 CNR1 (0.66) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL14739564 0.94 CNR1 (0.66) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL14739704 0.94 CNR1 (0.66) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL1604481 0.94 CNR1 (0.66) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL14740184 0.93 CNR1 (0.64) CNR1ALDH1A1FAAHTRPM8MEN1
SCHEMBL14746491 0.93 CNR1 (0.64) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL14739323 0.93 CNR1 (0.64) CNR1ALDH1A1FAAHMEN1BLM

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
WO-2012115695-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-08-30 — — WO claimed
WO-2012115695-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-08-30 — — WO disclosed
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