SCHEMBL9955020

SCHEMBL9955020

CCOc1cc(/C=C/Cc2ccc(OC)cc2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.66
ABCB1 P08183 1/20 0.66
BCR P11274 1/20 0.66
NFE2L2 Q16236 1/20 0.56
TOP2A P11388 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
STK17B O94768 2/20 0.48
IKBKB O14920 1/20 0.48
AURKA O14965 1/20 0.48
DAPK3 O43293 1/20 0.48
GSK3B P49841 1/20 0.48
BLK P51451 1/20 0.48
BTK Q06187 1/20 0.48
STK17A Q9UEE5 1/20 0.48
DAPK2 Q9UIK4 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
ALOX5 P09917 1/20 0.48
NQO2 P16083 1/20 0.48

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
SCHEMBL9955022 1.00 ABL1 (0.66) ABL1ABCB1BCRNFE2L2TOP2A
SCHEMBL30266054 0.89 NFE2L2 (0.70) ABCB1NFE2L2TOP2AALDH1A1MEN1
SCHEMBL18050621 0.89 NFE2L2 (0.70) ABCB1NFE2L2TOP2AALDH1A1MEN1
SCHEMBL18050622 0.89 NFE2L2 (0.70) ABCB1NFE2L2TOP2AALDH1A1MEN1
SCHEMBL9954938 0.87 TOP2A (0.56) ABL1ABCB1BCRTOP2AALDH1A1
SCHEMBL9954944 0.87 TOP2A (0.56) ABL1ABCB1BCRTOP2AALDH1A1
SCHEMBL9955395 0.85 TOP2A (0.57) ABL1ABCB1BCRTOP2AALDH1A1
SCHEMBL9955399 0.85 TOP2A (0.57) ABL1ABCB1BCRTOP2AALDH1A1
SCHEMBL3160982 0.80 ABL1 (0.62) ABL1ABCB1BCRNFE2L2TOP2A
SCHEMBL3160973 0.80 ABL1 (0.62) ABL1ABCB1BCRNFE2L2TOP2A

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