SCHEMBL9955523

SCHEMBL9955523

CCCCC/C=C/CCC=Cc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.51
CNR2 P34972 4/20 0.50
AHR P35869 1/20 0.50
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TRPA1 O75762 1/20 0.46
RELA Q04206 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
TNNC1 P63316 1/20 0.45

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
SCHEMBL9955520 1.00 CNR1 (0.51) CNR1CNR2AHRLMNATP53
SCHEMBL9955526 1.00 CNR1 (0.51) CNR1CNR2AHRLMNATP53
SCHEMBL6435102 0.97 AHR (0.53) CNR1CNR2AHRLMNATP53
SCHEMBL6434844 0.97 AHR (0.53) CNR1CNR2AHRLMNATP53
SCHEMBL6434839 0.97 AHR (0.53) CNR1CNR2AHRLMNATP53
SCHEMBL19452377 0.95 CNR1 (0.54) CNR1CNR2AHRLMNATP53
SCHEMBL17682006 0.95 CNR1 (0.54) CNR1CNR2AHRLMNATP53
SCHEMBL2005561 0.95 CNR1 (0.54) CNR1CNR2AHRLMNATP53
SCHEMBL2005564 0.95 CNR1 (0.54) CNR1CNR2AHRLMNATP53
SCHEMBL15688436 0.95 CNR1 (0.54) CNR1CNR2AHRLMNATP53

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 5 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
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