SCHEMBL28828655

SCHEMBL28828655

CCCCOc1c(C)cc(-c2ccc3c(c2)CC(CC)(CC)C3OC(N)=O)cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTA1 P08263 1/20 0.33
GSTP1 P09211 1/20 0.33
PPARD Q03181 5/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
HTR2A P28223 1/20 0.32
HPGD P15428 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
F2 P00734 1/20 0.31
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
F11 P03951 1/20 0.31
KLKB1 P03952 1/20 0.31
F7 P08709 1/20 0.31
PPARA Q07869 2/20 0.31
PPARG P37231 1/20 0.31
PTPN11 Q06124 1/20 0.30

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
SCHEMBL28828406 0.95 GSTA1 (0.32) GSTA1GSTP1F2F9F10
SCHEMBL28828685 0.91 KDM4E (0.32) PPARDHPGDALDH1A1
SCHEMBL29228370 0.85 GSTA1 (0.34) GSTA1GSTP1PPARDTHRATHRB
SCHEMBL29121320 0.85 GSTA1 (0.34) GSTA1GSTP1PPARDTHRATHRB
SCHEMBL28950171 0.85 RARB (0.37) PPARDRARARARB
SCHEMBL29121241 0.84 GSTA1 (0.34) GSTA1GSTP1F2F9F10
SCHEMBL28828586 0.84 GSTA1 (0.34) GSTA1GSTP1F2F9F10
SCHEMBL28828729 0.82 RARB (0.40) RARARARBHPGDPPARAPPARG
SCHEMBL28828516 0.81 PPARD (0.40) PPARDPPARAPPARGALDH1A1
SCHEMBL23362001 0.81 GSTA1 (0.33) GSTA1GSTP1PPARDRARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN claimed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN claimed
CN-114829361-B Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-07-16 CN disclosed
CN-114829361-A Derivatives having 2, 3-dihydro-1H-indene or 2, 3-dihydrobenzofuran moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing same 柳韩洋行 2022-07-29 CN disclosed