SCHEMBL30211331

SCHEMBL30211331

CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)C(C(=O)C(C)C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.43
▸ ACHE P22303 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGES O14684 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ DLAT P10515 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL29358266 0.87 ALOX5 (0.38) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL13629032 0.81 ALOX5 (0.41) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL9614740 0.66 LMNA (0.31) —
SCHEMBL2346992 0.65 ALOX5 (0.60) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL13649117 0.64 ALOX5 (0.55) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL10931619 0.64 ALOX5 (0.59) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL10926135 0.64 ALOX5 (0.59) ALOX5ACHEKDM4EMEN1AKR1B10
Hulupinic Acid SCHEMBL30211330 0.63 ALOX5 (0.44) ALOX5ACHEKDM4EMEN1AKR1B10
SCHEMBL29957628 0.63 ACHE (0.33) ALOX5ACHEPTGESMAPTNR1I2
SCHEMBL31576817 0.63 ALOX5 (0.65) ALOX5ACHEKDM4EMEN1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3836790-B1 COMPOSITION FOR REPELLING DAMAGING ORGANISMS MATTHESIUS CHRISTIAN (DE) 2023-06-07 — — EP disclosed
US-11505770-B2 Production of hulupones and hulupones products IFAST NV, INNOVATIVE FLAVOR & AROMA SCIENCE & TECHNOLOGY (BE) 2022-11-22 — — US disclosed
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