SCHEMBL30670590

SCHEMBL30670590

COC1(CI)OCCC1OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CHRNA7 P36544 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ABCB1 P08183 4/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ SLC43A1 O75387 1/20 0.36

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
SCHEMBL30670557 0.86 ABCB1 (0.39) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL21082486 0.74 GAA (0.44) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL30158161 0.66 KMT2A (0.43) MEN1KMT2AGAACHRNA7HTR3E
Methyl Benzoate SCHEMBL27799326 0.65 TSHR (0.56) KMT2ATSHR
SCHEMBL19320699 0.65 BCHE (0.46) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL28699769 0.64 GAA (0.50) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL19261912 0.64 LMNA (0.41) MEN1KMT2ACHRNA7TSHR
SCHEMBL2574686 0.64 CHRNA7 (0.50) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL12127600 0.63 KMT2A (0.52) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL4809454 0.63 MEN1 (0.46) MEN1KMT2AGAACHRNA7HTR3E

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
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 — — WO disclosed
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