SCHEMBL9954884

SCHEMBL9954884

COc1ccc(C=CCCc2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AOC3 Q16853 1/20 0.42
RAB9A P51151 1/20 0.42
TRPA1 O75762 1/20 0.41
RELA Q04206 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL9954880 1.00 SLC6A4 (0.46) SLC6A4LMNATP53CYP3A4TSHR
SCHEMBL9928581 0.89 CYP3A4 (0.57) LMNATP53CYP3A4TSHRKDM4E
SCHEMBL17748801 0.83 TUBB1 (0.40) SLC6A4LMNARAB9ARELATDP1
SCHEMBL17748803 0.83 TUBB1 (0.40) SLC6A4LMNARAB9ARELATDP1
SCHEMBL29850441 0.81 CYP3A4 (0.52) LMNATP53CYP3A4TSHRKDM4E
SCHEMBL31197199 0.81 TRPA1 (0.59) LMNATP53CYP3A4TSHRKDM4E
SCHEMBL30543062 0.81 CYP3A4 (0.52) LMNATP53CYP3A4TSHRKDM4E
SCHEMBL16784200 0.81 TRPA1 (0.59) LMNATP53CYP3A4TSHRKDM4E
SCHEMBL104850 0.79 SLC6A4 (0.69) SLC6A4AOC3TAAR1
SCHEMBL19491867 0.79 TUBB1 (0.39) RAB9ARELA

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