SCHEMBL29068814

SCHEMBL29068814

CC1=C(CCC(C)C=O)CCCC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.32

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
SCHEMBL3146722 0.78 ALDH1A1 (0.42) RXRA
SCHEMBL454132 0.78 ALDH1A1 (0.42) RXRA
SCHEMBL4913470 0.78 ALDH1A1 (0.42) RXRA
SCHEMBL10826995 0.76 — —
SCHEMBL29260309 0.74 MAPT (0.34) RXRA
SCHEMBL11680257 0.73 CYP1A2 (0.34) —
SCHEMBL29185785 0.70 RXRA (0.30) RXRA
SCHEMBL7769879 0.69 RARB (0.36) RXRA
SCHEMBL5515128 0.66 ALDH1A1 (0.35) RXRA
SCHEMBL13554953 0.64 ALDH1A1 (0.41) RXRA

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-116509735-A Fragrance and flavor compositions containing acetophenone derivatives 西姆莱斯股份公司 2023-08-01 — — CN disclosed
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