SCHEMBL8912632

SCHEMBL8912632

CC(C)=CCC/C(C)=C/COC(=O)Cl

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.73
ALDH1A1 P00352 2/20 0.73
FNTA P49354 2/20 0.55
FNTB P49356 2/20 0.55
TRPV1 Q8NER1 2/20 0.55
PGGT1B P53609 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.52
UGT1A1 P22309 1/20 0.52

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
SCHEMBL8912638 1.00 ALOX15 (0.73) ALOX15ALDH1A1FNTAFNTBTRPV1
SCHEMBL11421072 0.98 ALOX15 (0.71) ALOX15ALDH1A1FNTAFNTBTRPV1
SCHEMBL28538300 0.85 ALDH1A1 (0.79) ALOX15ALDH1A1FNTAFNTBTRPV1
Geranyl Acetate SCHEMBL1869319 0.85 ALDH1A1 (1.00) ALOX15ALDH1A1FNTAFNTBTRPV1
Neryl Acetate SCHEMBL236190 0.85 ALDH1A1 (1.00) ALOX15ALDH1A1FNTAFNTBTRPV1
Geranyl Acetate SCHEMBL56914 0.85 ALDH1A1 (1.00) ALOX15ALDH1A1FNTAFNTBTRPV1
SCHEMBL7220410 0.85 ALDH1A1 (0.79) ALOX15ALDH1A1FNTAFNTBTRPV1
SCHEMBL8662151 0.85 ALDH1A1 (0.79) ALOX15ALDH1A1FNTAFNTBTRPV1
SCHEMBL8662149 0.85 ALDH1A1 (0.79) ALOX15ALDH1A1FNTAFNTBTRPV1
Geranyl Acetate SCHEMBL56913 0.85 ALDH1A1 (1.00) ALOX15ALDH1A1FNTAFNTBTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380693-B Methyl cyclopentenol ketogeraniol carbonate spice and synthetic method and application thereof 安徽中烟工业有限责任公司 2023-11-17 CN claimed
CN-114380693-A Methyl cyclopentenolone geraniol carbonate spice and synthesis method and application thereof 安徽中烟工业有限责任公司 2022-04-22 CN claimed
CN-114380693-B Methyl cyclopentenol ketogeraniol carbonate spice and synthetic method and application thereof 安徽中烟工业有限责任公司 2023-11-17 CN disclosed
CN-114380693-A Methyl cyclopentenolone geraniol carbonate spice and synthesis method and application thereof 安徽中烟工业有限责任公司 2022-04-22 CN disclosed
US-5651991-A FATTY EMULSION OF NON-LIPOSOME PARTICLES CONTAINING DRUG IN CORE, AND HAVING LIPID SURFACE LAYER NIPPON SHINYAKU CO. LTD. (JP) 1997-07-29 US disclosed
EP-0510197-A1 FAT EMULSION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1992-10-28 EP disclosed