SCHEMBL3959518

SCHEMBL3959518

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC(CC(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.68
FNTB P49356 10/20 0.68
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
TRPA1 O75762 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
UGT1A1 P22309 1/20 0.46

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
SCHEMBL3959523 1.00 FNTA (0.68) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL3082251 0.98 FNTA (0.65) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL3082247 0.98 FNTA (0.65) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL11049165 0.90 FNTA (0.77) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL8619861 0.90 FNTA (0.77) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL10669823 0.90 FNTA (0.77) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL11049186 0.90 FNTA (0.77) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL11619634 0.90 FNTA (0.77) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL1395164 0.88 FNTA (0.73) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL29797979 0.86 ALDH1A1 (0.52) FNTAFNTBALDH1A1ALOX15

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-0760243-B1 Use of allylic alcohol perfumes as a malodour reduction agent PROCTER & GAMBLE (US) 2006-03-29 EP claimed
EP-0876467-B1 PERFUMES FOR LAUNDRY COMPOSITIONS PROCTER & GAMBLE (US) 2002-09-18 EP claimed
EP-0772672-B1 PERFUMES FOR LAUNDRY AND CLEANING COMPOSITIONS PROCTER & GAMBLE (US) 2000-09-13 EP claimed
EP-2079433-A1 STABILISED ACTIVE INGREDIENT COMPOSITION Dr. Suwelack Skin & Health Care AG (DE) 2009-07-22 EP disclosed
WO-2008020066-A1 STABILISED ACTIVE INGREDIENT COMPOSITION DR. SUWELACK SKIN & HEALTH CARE AG (DE) 2008-02-21 WO disclosed