SCHEMBL28932953

SCHEMBL28932953

CCOC(=O)C1CN(C(C)=O)CC1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ TSHR P16473 1/20 0.47
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ CHRM2 P08172 4/20 0.46
▸ CHRM4 P08173 4/20 0.46
▸ CHRM5 P08912 4/20 0.46
▸ CHRM1 P11229 4/20 0.46
▸ CHRM3 P20309 4/20 0.46
▸ SLC6A3 Q01959 3/20 0.45
▸ SLC18A2 Q05940 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44

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
SCHEMBL7888936 1.00 MAPT (0.53) MAPTPKMTSHRPDE4APDE4B
SCHEMBL5805888 0.90 MAPT (0.54) MAPTPKMTSHRPDE4APDE4B
SCHEMBL6595892 0.87 PDE4B (0.47) MAPTPKMPDE4APDE4BPDE4C
SCHEMBL13104885 0.86 MAPT (0.53) MAPTPKMTSHRPDE4APDE4B
SCHEMBL5821047 0.84 TACR1 (0.56) MAPTPKMPDE4APDE4BPDE4C
SCHEMBL10262984 0.83 SLC6A3 (0.56) MAPTPKMTSHRSLC6A3SLC18A2
SCHEMBL6592795 0.83 ALDH1A1 (0.49) MAPTPKMPDE4APDE4BPDE4C
SCHEMBL28932947 0.81 MAPT (0.53) MAPTPKMTSHRCHRM2CHRM4
SCHEMBL23924117 0.81 TLR2 (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL7885188 0.81 TLR2 (0.46) SMN1; SMN2MEN1KMT2A

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
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 — — CN disclosed
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