SCHEMBL9954153

SCHEMBL9954153

CC(CC=CCc1ccccc1)CC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ARG2 P78540 1/20 0.38
TOP1 P11387 1/20 0.36
TRPA1 O75762 1/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A2 P23975 3/20 0.33
TAAR1 Q96RJ0 3/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
RIPK1 Q13546 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL9954151 1.00 MAOB (0.52) MAOBCA1CA2ARG2TOP1
SCHEMBL107789 0.77 MAOB (0.65) MAOBCA1CA2ARG2TOP1
SCHEMBL107790 0.77 MAOB (0.65) MAOBCA1CA2ARG2TOP1
SCHEMBL9956144 0.75 MAOB (0.50) MAOBCA1CA2ARG2TOP1
SCHEMBL9956141 0.75 MAOB (0.50) MAOBCA1CA2ARG2TOP1
SCHEMBL23839829 0.74 MAOB (0.60) MAOBCA1CA2ARG2TOP1
SCHEMBL8483777 0.74 MAOB (0.60) MAOBCA1CA2ARG2TOP1
SCHEMBL2452422 0.74 SIGMAR1 (0.50) TRPA1KCNH2SLC6A2TAAR1MAOA
SCHEMBL27422441 0.73 MAOB (0.58) MAOBCA1CA2ARG2TOP1
SCHEMBL155054 0.72 MAOB (1.00) MAOBCA1CA2ARG2TOP1

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