SCHEMBL6129247

SCHEMBL6129247

O=C1CCCC=C1N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS2 P35354 2/20 0.31
ACHE P22303 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CCR6 P51684 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31

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
SCHEMBL11579318 0.98 MAPT (0.37) MAPTAPAF1TDP2NSD2HKDC1
SCHEMBL18766357 0.91 MAPT (0.34) MAPTAPAF1TDP2NSD2HKDC1
SCHEMBL12500834 0.89 APAF1 (0.35) MAPTAPAF1TDP2NSD2HKDC1
SCHEMBL10515564 0.87 MAPT (0.31) MAPTAPAF1TDP2NSD2HKDC1
SCHEMBL1821124 0.84 MAPT (0.42) MAPTAPAF1TDP2NSD2HKDC1
SCHEMBL4637434 0.77
SCHEMBL4275705 0.75 MAPT (0.34) MAPTGSTP1
SCHEMBL3274565 0.71 HIF1A (0.43) MAPTHIF1AALDH1A1
SCHEMBL9319606 0.68 ALDH1A1 (0.36) MAPTAPAF1TDP2NSD2HKDC1
SCHEMBL9904083 0.68 APAF1 (0.34) MAPTAPAF1TDP2NSD2HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455609-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS Vector Tobacco Inc. (US) 2004-09-15 EP claimed
WO-2003053176-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS VECTOR TOBACCO INC. (US) 2003-07-03 WO claimed
US-20050000529-A1 Method and compositions for imparting cooling effect to tobacco products VECTOR TOBACCO INC. 2005-01-06 US disclosed
EP-1455609-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS Vector Tobacco Inc. (US) 2004-09-15 EP disclosed
WO-2003053176-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS VECTOR TOBACCO INC. (US) 2003-07-03 WO disclosed