SCHEMBL24471492

SCHEMBL24471492

CC1=C(C)CC(C)(C)OC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL25450523 0.77 ALDH1A1 (0.31) ALDH1A1GAAKDM4EMEN1THRB
SCHEMBL28280819 0.67 — —
SCHEMBL7546297 0.65 ALDH1A1 (0.46) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL9928132 0.63 — —
SCHEMBL20408744 0.63 — —
SCHEMBL92839 0.58 — —
SCHEMBL19699642 0.58 — —
SCHEMBL50056 0.55 — —
SCHEMBL2031403 0.55 EPHX1 (0.32) —
SCHEMBL2710428 0.55 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023227676-A1 HERBICIDAL MALONIC ACID MONOAMIDES AND MALONAMIDE ESTERS BASF SE (DE) 2023-11-30 — — WO disclosed
WO-2023081841-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
WO-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
WO-2023081812-A2 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
WO-2022112351-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2022-06-02 — — WO disclosed
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