SCHEMBL9954014

SCHEMBL9954014

CCCCCCCCCC(C)C=CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
CSNK1E P49674 1/20 0.44
MAOB P27338 1/20 0.44
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 2/20 0.40
DNM1 Q05193 2/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL9954010 1.00 KCNH2 (0.49) KCNH2CSNK1EMAOBCNR2ALDH1A1
SCHEMBL9954990 1.00 KCNH2 (0.49) KCNH2CSNK1EMAOBCNR2ALDH1A1
SCHEMBL9954992 1.00 KCNH2 (0.49) KCNH2CSNK1EMAOBCNR2ALDH1A1
SCHEMBL9954085 0.86 KCNH2 (0.37) KCNH2ALDH1A1TP53HTT
SCHEMBL9954084 0.86 KCNH2 (0.37) KCNH2ALDH1A1TP53HTT
SCHEMBL5681160 0.83 CSNK1E (0.46) KCNH2CSNK1ECNR2ALDH1A1DNM1
SCHEMBL5676764 0.83 CSNK1E (0.46) KCNH2CSNK1ECNR2ALDH1A1DNM1
SCHEMBL5680471 0.83 CSNK1E (0.46) KCNH2CSNK1ECNR2ALDH1A1DNM1
SCHEMBL5678598 0.83 CSNK1E (0.46) KCNH2CSNK1ECNR2ALDH1A1DNM1
SCHEMBL9959921 0.83 CYP1A2 (0.42) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655307-B1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2018-08-01 EP claimed
US-9193935-B2 Compounds capable of releasing fragrant compounds GIVAUDAN S.A. (CH) 2015-11-24 US claimed
US-20130316938-A1 Compounds Capable Of Releasing Fragrant Compounds GIVAUDAN S.A. (CH) 2013-11-28 US claimed
EP-2655307-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS Givaudan SA (CH) 2013-10-30 EP claimed
WO-2012085287-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2012-06-28 WO claimed
EP-2655307-B1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2018-08-01 EP disclosed
US-9193935-B2 Compounds capable of releasing fragrant compounds GIVAUDAN S.A. (CH) 2015-11-24 US disclosed
US-20130316938-A1 Compounds Capable Of Releasing Fragrant Compounds GIVAUDAN S.A. (CH) 2013-11-28 US disclosed
EP-2655307-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS Givaudan SA (CH) 2013-10-30 EP disclosed
WO-2012085287-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2012-06-28 WO disclosed