SCHEMBL3269523

SCHEMBL3269523

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.54
FNTB P49356 5/20 0.54
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
TRPA1 O75762 1/20 0.53
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
CYP3A4 P08684 1/20 0.48
UGT1A1 P22309 1/20 0.48
SQLE Q14534 1/20 0.47

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
SCHEMBL3269528 1.00 FNTA (0.54) FNTAFNTBKMT2AMAPTMEN1
Squalene SCHEMBL27829218 0.89 KMT2A (0.63) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL9305765 0.86 FNTA (0.59) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL9305768 0.86 FNTA (0.59) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL6579169 0.84 ALOX15 (0.61) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL6579163 0.84 ALOX15 (0.61) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL27437786 0.83 KMT2A (0.70) KMT2AMAPTMEN1ALDH1A1ALOX15
SCHEMBL28342394 0.83 KMT2A (0.70) KMT2AMAPTMEN1ALDH1A1ALOX15
SCHEMBL16517828 0.82 KMT2A (0.49) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL20435504 0.79 FNTA (0.72) FNTAFNTBKMT2AMAPTMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1920042-B1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL AG & CO KGAA (DE) 2010-06-23 EP disclosed
EP-2046929-A1 LIQUID SUPPORT Henkel AG & Co. KGaA (DE) 2009-04-15 EP disclosed
EP-2038391-A1 WASHING, CLEANING AND CARE PRODUCTS Henkel AG & Co. KGaA (DE) 2009-03-25 EP disclosed
WO-2008116509-A1 CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2008-10-02 WO disclosed
EP-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 EP disclosed
EP-1920042-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-14 EP disclosed
WO-2008012140-A1 LIQUID SUPPORT HENKEL AG & CO. KGAA (DE) 2008-01-31 WO disclosed
WO-2008003631-A1 WASHING, CLEANING AND CARE PRODUCTS HENKEL AG & CO. KGAA (DE) 2008-01-10 WO disclosed
WO-2007118747-A1 AQUEOUS CLEANING AGENT CONTAINING PERFUME HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007028478-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028480-A1 PARTICLES CONTAINING ZEOLITE AND PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed