SCHEMBL6129223

SCHEMBL6129223

CC1=C(N2CCCC2)C(=O)CC(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BRCA1 P38398 1/20 0.36
ATM Q13315 1/20 0.36
CYP2C19 P33261 1/20 0.35
MAOA P21397 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
APOBEC3A P31941 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALPL P05186 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
SCHEMBL15355332 0.84 MAPT (0.50) MAPTHPGDALDH1A1RAB9AL3MBTL1
SCHEMBL11934162 0.77 MAOA (0.43) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28334942 0.74 MAOA (0.41) MAPTALDH1A1L3MBTL1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL28279025 0.74 MAOA (0.41) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27742309 0.74 MAOA (0.41) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27621718 0.74 MAOA (0.41) MAPTALDH1A1L3MBTL1MEN1KMT2A
Hydrazine SCHEMBL27467817 0.73 MAOA (0.40) MAPTALDH1A1L3MBTL1MEN1KMT2A
Zinc Ion SCHEMBL27762063 0.73 MAOA (0.40) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL120459 0.71 SMN1; SMN2 (0.40) MAPTHPGDALDH1A1NPC1RAB9A
Benzene SCHEMBL28318743 0.71 BRD4 (0.40) MAPTHPGDALDH1A1MEN1KMT2A

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