SCHEMBL9956141

SCHEMBL9956141

CC(C)CCCC(C)CC=CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.39
PDE4A P27815 1/20 0.39
SNCA P37840 1/20 0.39
PDE3A Q14432 1/20 0.39
TOP1 P11387 1/20 0.38
LMNA P02545 2/20 0.38
KCNH2 Q12809 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ARG2 P78540 1/20 0.37
MMP9 P14780 1/20 0.35
PKM P14618 1/20 0.34
BLM P54132 1/20 0.33
AOC3 Q16853 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9956144 1.00 MAOB (0.50) MAOBMEN1ALDH1A1HTTKMT2A
SCHEMBL107790 0.80 MAOB (0.65) MAOBTOP1KCNH2CA1CA2
SCHEMBL107789 0.80 MAOB (0.65) MAOBTOP1KCNH2CA1CA2
SCHEMBL16053089 0.76 MAOB (0.46) MAOBALDH1A1TOP1CA1CA2
SCHEMBL9955023 0.76 MAOB (0.46) MAOBALDH1A1TOP1CA1CA2
SCHEMBL9954151 0.75 MAOB (0.52) MAOBTOP1KCNH2CA1CA2
SCHEMBL9954153 0.75 MAOB (0.52) MAOBTOP1KCNH2CA1CA2
SCHEMBL28296318 0.74 SIGMAR1 (0.48) MEN1ALDH1A1HTTKMT2ALMNA
SCHEMBL31414175 0.73 SIGMAR1 (0.39)
SCHEMBL23839829 0.73 MAOB (0.60) MAOBTOP1CA1CA2ARG2

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 12 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
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (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-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085287-A1 COMPOUNDS CAPABLE OF RELEASING FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2012-06-28 WO disclosed