SCHEMBL4601323

SCHEMBL4601323

CCCCCCN1CC=CN(CC)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.40
FAAH O00519 5/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
GBA1 P04062 2/20 0.38
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
G6PD P11413 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 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
SCHEMBL4602084 0.90 MGLL (0.40) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL14917573 0.90 MGLL (0.38) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL10337687 0.85 GAA (0.35) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL4602397 0.75 FAAH (0.39) MGLLFAAHALDH1A1NPC1MITF
SCHEMBL2905468 0.73 MGLL (0.53) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL13837373 0.70 MGLL (0.46) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL6779927 0.70 MGLL (0.50) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL31093212 0.69 GBA1 (0.47) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL9617015 0.69 GBA1 (0.47) MGLLFAAHPTGS1PTGS2GBA1
SCHEMBL9769185 0.69 GBA1 (0.47) MGLLFAAHPTGS1PTGS2GBA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694748-B1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M INNOVATIVE PROPERTIES CO (US) 2008-04-23 EP disclosed
US-7273531-B2 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-25 US disclosed
US-20050092429-A1 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY 2005-05-05 US disclosed