SCHEMBL9955641

SCHEMBL9955641

CCCCCCCCCC(C)C=Cc1ccc(O)c(OCC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.52
ALDH1A1 P00352 1/20 0.51
ABL1 P00519 1/20 0.51
ABCB1 P08183 1/20 0.51
BCR P11274 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GAA P10253 2/20 0.46
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.43
TUBB1 Q9H4B7 1/20 0.41
HTR1A P08908 1/20 0.41
STK17B O94768 1/20 0.41
PIM1 P11309 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
SCHEMBL9955639 1.00 TOP2A (0.52) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL9955636 1.00 TOP2A (0.52) TOP2AALDH1A1ABL1ABCB1BCR
Ethyl Vanillin SCHEMBL8818473 0.79 ALDH1A1 (0.68) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL9960062 0.79 RELA (0.49) ALDH1A1KMT2ANPC1RAB9AKDM4E
SCHEMBL9960061 0.79 RELA (0.49) ALDH1A1KMT2ANPC1RAB9AKDM4E
SCHEMBL30128880 0.75 ALDH1A1 (0.46) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL23043047 0.74 HTR1A (0.57) TOP2AALDH1A1ABCB1MEN1KMT2A
SCHEMBL29332624 0.74 HTR1A (0.57) TOP2AALDH1A1ABCB1MEN1KMT2A
SCHEMBL23043046 0.74 HTR1A (0.57) TOP2AALDH1A1ABCB1MEN1KMT2A
SCHEMBL18328760 0.73 ALDH1A1 (0.68) TOP2AALDH1A1ABL1ABCB1BCR

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