SCHEMBL29934500

SCHEMBL29934500

CC(C)c1cc2c(cc1O)C1(C)CCCC(C)(C)C1C=C2O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.52
▸ KARS1 Q15046 1/20 0.43
▸ USP2 O75604 3/20 0.39
▸ CYP3A4 P08684 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ FDPS P14324 8/20 0.36
▸ GGPS1 O95749 2/20 0.36
▸ BCL9 O00512 3/20 0.34
▸ CTNNB1 P35222 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PTGES O14684 2/20 0.34
▸ PNLIP P16233 2/20 0.34

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
SCHEMBL16006769 0.77 KARS1 (0.43) SOD1KARS1USP2CYP3A4MAPT
Sugiol SCHEMBL1086916 0.75 SOD1 (0.58) SOD1KARS1USP2CYP3A4MAPT
Sugiol SCHEMBL28605319 0.75 SOD1 (0.58) SOD1KARS1USP2CYP3A4MAPT
Hypargenin C SCHEMBL13532268 0.75 SOD1 (0.55) SOD1KARS1USP2CYP3A4MAPT
Hypargenin C SCHEMBL31083234 0.75 SOD1 (0.55) SOD1KARS1USP2CYP3A4MAPT
Hypargenin C SCHEMBL18290364 0.75 SOD1 (0.55) SOD1KARS1USP2CYP3A4MAPT
Sugiol SCHEMBL17407685 0.75 SOD1 (0.58) SOD1KARS1USP2CYP3A4MAPT
SCHEMBL18290200 0.74 SOD1 (0.76) SOD1KARS1USP2CYP3A4MAPT
SCHEMBL13532266 0.74 SOD1 (0.52) SOD1KARS1USP2CYP3A4MAPT
Ferruginol SCHEMBL13423521 0.69 KARS1 (0.73) KARS1USP2CYP3A4MAPTMEN1

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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