SCHEMBL28828488

SCHEMBL28828488

CCCOc1ccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.37
ACACA Q13085 4/20 0.37
TSHR P16473 1/20 0.36
RARB P10826 4/20 0.35
RARA P10276 1/20 0.35
ERN1 O75460 1/20 0.35
PPARD Q03181 1/20 0.35
MPL P40238 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PLK1 P53350 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL28828372 0.96 RARB (0.40) RARBRARAPPARDALDH1A1
SCHEMBL28828679 0.92 SLC13A5 (0.40) ACACBACACAERN1MPLALDH1A1
SCHEMBL28828590 0.91 PARP10 (0.39) TSHRPPARDL3MBTL1ALDH1A1
SCHEMBL29121247 0.91 PARP10 (0.39) TSHRPPARDL3MBTL1ALDH1A1
SCHEMBL28828573 0.90 CHEK1 (0.41) RARBRARAPPARD
SCHEMBL28828468 0.90 PARP1 (0.36) RARBRARAPPARDALDH1A1
SCHEMBL29121177 0.89 PPARD (0.38) ACACBACACATSHRRARBRARA
SCHEMBL28950171 0.89 RARB (0.37) ACACBACACATSHRRARBRARA
SCHEMBL28828424 0.89 FFAR4 (0.34) RARBRARAERN1
SCHEMBL28950180 0.89 NR1H4 (0.41) PPARD

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