SCHEMBL29053977

SCHEMBL29053977

C=C(C)C(=O)CC(C)(C)c1ccccc1.C=CCCC(=O)C1=CCCC(C)(C)C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ME2 P23368 1/20 0.31
▸ ME1 P48163 1/20 0.31
▸ ME3 Q16798 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HTT P42858 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
SCHEMBL29053975 0.83 ME2 (0.30) ME2ME1ME3
SCHEMBL112059 0.79 MEN1 (0.33) —
SCHEMBL1404274 0.73 CYP2C19 (0.48) ME2ME1ME3ALDH1A1HTT
SCHEMBL17976889 0.73 FAAH (0.39) —
SCHEMBL11369860 0.72 MEN1 (0.36) ALDH1A1
SCHEMBL28847934 0.70 MEN1 (0.32) —
SCHEMBL21189905 0.68 FAAH (0.31) —
SCHEMBL21837277 0.68 ALDH1A1 (0.37) ALDH1A1
SCHEMBL21837278 0.68 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11973867 0.67 NPC1 (0.31) ALDH1A1

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-116209741-A Consumer product containing fragrance precursor 弗门尼舍有限公司 2023-06-02 — — CN disclosed
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