SCHEMBL9954764

SCHEMBL9954764

CC/C=C\CC=Cc1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.55
KDM4E B2RXH2 3/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RELA Q04206 3/20 0.52
TRPA1 O75762 1/20 0.52
ESR1 P03372 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP1A1 P04798 3/20 0.50
CYP1B1 Q16678 3/20 0.50
PTGS2 P35354 2/20 0.50
AHR P35869 2/20 0.50
ABL1 P00519 1/20 0.50
TTR P02766 1/20 0.50
ABCB1 P08183 1/20 0.50
ALOX5 P09917 1/20 0.50
BCR P11274 1/20 0.50

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
SCHEMBL9954765 1.00 NFE2L2 (0.55) NFE2L2KDM4ECYP3A4LMNATP53
SCHEMBL9960769 1.00 NFE2L2 (0.55) NFE2L2KDM4ECYP3A4LMNATP53
SCHEMBL9954760 1.00 NFE2L2 (0.55) NFE2L2KDM4ECYP3A4LMNATP53
SCHEMBL256708 0.90 KDM4E (0.59) NFE2L2KDM4ECYP3A4LMNATP53
SCHEMBL12047534 0.90 KDM4E (0.59) NFE2L2KDM4ECYP3A4LMNATP53
SCHEMBL8647769 0.90 KDM4E (0.59) NFE2L2KDM4ECYP3A4LMNATP53
SCHEMBL13778032 0.85 KDM4E (0.53) NFE2L2KDM4ECYP3A4LMNATP53
SCHEMBL31336352 0.84 KDM4E (0.48) NFE2L2KDM4ECYP3A4LMNATP53
SCHEMBL31336333 0.84 KDM4E (0.48) NFE2L2KDM4ECYP3A4LMNATP53
SCHEMBL31336548 0.84 KDM4E (0.48) NFE2L2KDM4ECYP3A4LMNATP53

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
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
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-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