SCHEMBL30984402

SCHEMBL30984402

C=C(C)C=CCC(=O)O.CC(=O)OCC=C(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2D6 P10635 1/20 0.34
TTR P02766 1/20 0.32
PTPN1 P18031 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 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
SCHEMBL7707867 0.81 ALDH1A1 (0.47) ALOX15ALDH1A1PTPN1CYP3A4MAPT
SCHEMBL7707869 0.81 ALDH1A1 (0.47) ALOX15ALDH1A1PTPN1CYP3A4MAPT
SCHEMBL8150538 0.80
SCHEMBL2569752 0.80
Hydrogen Peroxide SCHEMBL31395241 0.78 ALDH1A1 (0.63) ALOX15ALDH1A1TTRPTPN1HSD17B10
SCHEMBL29894068 0.77 ALOX15 (0.44) ALOX15ALDH1A1CYP2D6TTRPTPN1
SCHEMBL30403703 0.77 ALOX15 (0.47) ALOX15ALDH1A1CYP2D6PTPN1MAPT
SCHEMBL16207390 0.77 ALDH1A1 (0.39) ALOX15ALDH1A1PTPN1CYP3A4MAPT
Acetic Acid SCHEMBL17748848 0.76 ALDH1A1 (0.61) ALOX15ALDH1A1TTRPTPN1HSD17B10
SCHEMBL113776 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119372-A Malodor-counteracting compositions, compositions and uses thereof 国际香料和香精公司 2024-05-31 CN claimed