SCHEMBL11223609

SCHEMBL11223609

C=CCOC(=O)C=C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
CYP3A4 P08684 1/20 0.39
APP P05067 1/20 0.37
ESR2 Q92731 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SNCA P37840 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11388692 0.98 MAPT (0.40) MAPTCACNA1BAPBA1CYP3A4APP
SCHEMBL6688972 0.79 MAPT (0.40) MAPTCACNA1BAPBA1CYP3A4APP
SCHEMBL6688974 0.79 MAPT (0.40) MAPTCACNA1BAPBA1CYP3A4APP
SCHEMBL11727940 0.78 MAPT (0.36) MAPTCACNA1BAPBA1CYP3A4APP
SCHEMBL905258 0.76 ESR2 (0.54) MAPTESR2ALDH1A1HSD17B10GAA
SCHEMBL11723949 0.76 MAPT (0.40) MAPTCACNA1BAPBA1CYP3A4APP
SCHEMBL25311256 0.74 ESR2 (0.53) MAPTESR2ALDH1A1HSD17B10GAA
SCHEMBL3812522 0.74 ESR2 (0.53) MAPTESR2ALDH1A1HSD17B10GAA
SCHEMBL25313837 0.74 ESR2 (0.53) MAPTESR2ALDH1A1HSD17B10GAA
SCHEMBL6093145 0.74 ESR2 (0.53) MAPTESR2ALDH1A1HSD17B10GAA

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
US-4338458-A Cyclopentane derivatives useful as perfuming agents FIRMENICH SA (CH) 1982-07-06 US claimed
US-4338458-A Cyclopentane derivatives useful as perfuming agents FIRMENICH SA (CH) 1982-07-06 US disclosed
US-4280934-A Cyclopentane derivatives useful as perfuming agents FIRMENICH SA (CH) 1981-07-28 US disclosed