SCHEMBL29797979

SCHEMBL29797979

CC(C)=CCC/C(C)=C/CC(CC(=O)O)C(=O)O.CC(C)=CCC/C(C)=C/COC(=O)CCC(=O)OC/C=C(\C)CCC=C(C)C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
TRPV1 Q8NER1 3/20 0.52
FNTA P49354 5/20 0.51
FNTB P49356 5/20 0.51
PGGT1B P53609 1/20 0.42

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
SCHEMBL3082251 0.88 FNTA (0.65) ALDH1A1ALOX15FNTAFNTB
SCHEMBL3082247 0.88 FNTA (0.65) ALDH1A1ALOX15FNTAFNTB
SCHEMBL3959523 0.86 FNTA (0.68) ALDH1A1ALOX15FNTAFNTB
SCHEMBL3959518 0.86 FNTA (0.68) ALDH1A1ALOX15FNTAFNTB
SCHEMBL27735907 0.85 ALDH1A1 (0.56) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL29626022 0.84 ALDH1A1 (0.58) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL30073831 0.84 ALDH1A1 (0.51) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL667620 0.82 ALDH1A1 (0.67) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL667619 0.82 ALDH1A1 (0.67) ALDH1A1ALOX15TRPV1FNTAFNTB
SCHEMBL31171145 0.82 ALDH1A1 (0.76) ALDH1A1ALOX15TRPV1FNTAFNTB

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-114727924-A Pro-fragrance compositions 弗门尼舍有限公司 2022-07-08 CN disclosed