SCHEMBL6129248

SCHEMBL6129248

CC1CC=C(N2CCOCC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
TP53 P04637 1/20 0.45
STAT3 P40763 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
S100A4 P26447 2/20 0.39
MEN1 O00255 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
HKDC1 Q2TB90 1/20 0.38

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
SCHEMBL120831 0.83 KMT2A (0.33) MAPTKMT2AMEN1APAF1TDP2
SCHEMBL23145857 0.75 MAPT (0.41) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL9508287 0.66 MAPT (0.66) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL6129240 0.66 APAF1 (0.31) APAF1TDP2NSD2HKDC1
SCHEMBL18104502 0.64 MAPT (0.45) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL12806499 0.64 ALDH1A1 (0.33) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL10263907 0.64 ALDH1A1 (0.34) MAPTHTTTP53KMT2ALMNA
SCHEMBL28037607 0.64 KMT2A (0.45) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL28670252 0.64 MAPT (0.41) MAPTHTTSMN1; SMN2LMNACYP3A4
SCHEMBL10588333 0.63 MAPT (0.38) MAPTHTTTP53KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050000529-A1 Method and compositions for imparting cooling effect to tobacco products VECTOR TOBACCO INC. 2005-01-06 US claimed
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