SCHEMBL6129229

SCHEMBL6129229

CCCCCCN(CCCCCC)C1=CCC(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADH1C P00326 1/20 0.33
▸ ADH1A P07327 1/20 0.33
▸ ADH4 P08319 1/20 0.33
▸ GPR84 Q9NQS5 2/20 0.32
▸ DNM1 Q05193 3/20 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
SCHEMBL6129243 0.93 ELANE (0.31) —
SCHEMBL21819284 0.70 ACHE (0.40) GPR84DNM1
SCHEMBL28553031 0.65 ACHE (0.51) GPR84DNM1
SCHEMBL10489063 0.62 ACHE (0.49) GPR84DNM1
Hexane SCHEMBL27853777 0.61 CYP1A2 (0.42) —
SCHEMBL1815516 0.60 CNR2 (0.46) DNM1
SCHEMBL12677177 0.60 CNR2 (0.46) DNM1
SCHEMBL28220432 0.60 DNM1 (0.46) DNM1
SCHEMBL2535675 0.58 MAPT (0.48) DNM1
SCHEMBL1459455 0.58 EGFR (0.44) DNM1

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
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