SCHEMBL29934307

SCHEMBL29934307

CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C=O)C1CC2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.65
▸ SOD1 P00441 1/20 0.54
▸ CYP3A4 P08684 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ FDPS P14324 4/20 0.41
▸ GGPS1 O95749 3/20 0.41
▸ AR P10275 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ USP2 O75604 2/20 0.35
▸ POLA1 P09884 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NR1I2 O75469 1/20 0.33

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
Sugiol SCHEMBL28605319 0.86 SOD1 (0.58) KARS1SOD1CYP3A4MAPTMEN1
Sugiol SCHEMBL17407685 0.86 SOD1 (0.58) KARS1SOD1CYP3A4MAPTMEN1
Sugiol SCHEMBL1086916 0.86 SOD1 (0.58) KARS1SOD1CYP3A4MAPTMEN1
SCHEMBL18290229 0.82 SOD1 (0.72) KARS1SOD1CYP3A4MAPTALDH1A1
SCHEMBL15388986 0.82 CYP3A4 (0.64) KARS1CYP3A4MAPTMEN1TP53
SCHEMBL15388987 0.82 CYP3A4 (0.64) KARS1CYP3A4MAPTMEN1TP53
SCHEMBL30712349 0.78 SOD1 (0.49) KARS1SOD1CYP3A4MAPTALDH1A1
SCHEMBL19786216 0.75 ESR1 (0.42) KARS1SOD1CYP3A4MAPTMEN1
SCHEMBL18290200 0.74 SOD1 (0.76) KARS1SOD1CYP3A4MAPTMEN1
SCHEMBL29403700 0.73 ESR1 (0.48) KARS1SOD1CYP3A4MAPTMEN1

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
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 — — US disclosed
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