SCHEMBL6129237

SCHEMBL6129237

CC1CC(C)(C)C=C(N2CCCC2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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 0.71 KMT2A (0.33) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL6667605 0.71 MAPT (0.42) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL11708444 0.68
SCHEMBL6129240 0.68 APAF1 (0.31)
SCHEMBL5264706 0.64 NPC1 (0.37) MAPTHPGDALDH1A1L3MBTL1
SCHEMBL6129226 0.63 APAF1 (0.36) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL6668240 0.59 MAPT (0.38) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL18769820 0.58 MAPT (0.37) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL30912996 0.58 APAF1 (0.35) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL6129248 0.56 MAPT (0.45) MAPTKMT2AALDH1A1MEN1L3MBTL1

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 4 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