SCHEMBL28958991

SCHEMBL28958991

O=CC1CCCc2cc(O)cc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRKCI P41743 1/20 0.33
HTR6 P50406 2/20 0.32
ESR2 Q92731 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.31

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
SCHEMBL27982324 0.84 HTR6 (0.33) HTR6
SCHEMBL28959025 0.81 HTR6 (0.30) HTR6
SCHEMBL27707863 0.76
SCHEMBL27571864 0.74 OPRM1 (0.37)
SCHEMBL28959006 0.71
SCHEMBL27473920 0.71 ESR1 (0.51) MAOAMAOBPRKCIHTR6ESR2
SCHEMBL27594349 0.70 XDH (0.34) ALDH1A1HSP90AA1
SCHEMBL22048215 0.69
SCHEMBL28958979 0.68 MEN1 (0.30) ALDH1A1LMNA
SCHEMBL27523226 0.68 ESR1 (0.43) MAOAMAOBPRKCIESR2ESR1

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
CN-114621070-B Synthesis method of 3, 4-dihydronaphthalene-1 (2H) -one derivative 上海陶术生物科技有限公司 2024-03-19 CN claimed
CN-114621070-A Synthesis method of 3, 4-dihydronaphthalene-1 (2H) -ketone derivative 上海陶术生物科技有限公司 2022-06-14 CN claimed
CN-114621070-B Synthesis method of 3, 4-dihydronaphthalene-1 (2H) -one derivative 上海陶术生物科技有限公司 2024-03-19 CN disclosed
CN-114621070-B Synthesis method of 3, 4-dihydronaphthalene-1 (2H) -one derivative 上海陶术生物科技有限公司 2024-03-19 CN disclosed
CN-114621070-A Synthesis method of 3, 4-dihydronaphthalene-1 (2H) -ketone derivative 上海陶术生物科技有限公司 2022-06-14 CN disclosed
CN-114621070-A Synthesis method of 3, 4-dihydronaphthalene-1 (2H) -ketone derivative 上海陶术生物科技有限公司 2022-06-14 CN disclosed