SCHEMBL7556771

SCHEMBL7556771

CCCC(C)(CCC=C(C)C)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.38
HIF1A Q16665 3/20 0.36
EPAS1 Q99814 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNA7 P36544 1/20 0.31
STAT3 P40763 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BTN3A1 O00481 1/20 0.30

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
SCHEMBL3749023 0.87 ALOX15 (0.45) ALOX15CYP3A4LMNAGAAHIF1A
SCHEMBL11132786 0.86 ALOX15 (0.44) ALOX15CYP3A4LMNAGAAHIF1A
SCHEMBL12776904 0.84 GAA (0.50) LMNAGAAALDH1A1HSD17B10
SCHEMBL10651515 0.77 ALOX15 (0.44) ALOX15CYP3A4LMNAGAAHIF1A
SCHEMBL1268505 0.77 GAA (0.43) LMNAGAAALDH1A1ATMMEN1
SCHEMBL13841035 0.75 GAA (0.38) ALOX15CYP3A4LMNAGAA
SCHEMBL16464537 0.75 GAA (0.35) ALOX15CYP3A4LMNAGAAALDH1A1
SCHEMBL16464536 0.75 GAA (0.35) ALOX15CYP3A4LMNAGAAALDH1A1
SCHEMBL29404555 0.75 ALOX15 (0.43) ALOX15CYP3A4LMNAGAAHIF1A
SCHEMBL21542084 0.73 GAA (0.43) LMNAGAAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950652-B1 Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same KURARAY CO (JP) 2002-07-03 EP disclosed
US-6159928-A Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same KURARAY CO., LTD. (JP) 2000-12-12 US disclosed
EP-0950652-A1 Cis-configurational unsaturated ester, process for producing the same, and fragrance composition containing the same KURARAY CO., LTD. (JP) 1999-10-20 EP disclosed