SCHEMBL28828539

SCHEMBL28828539

COc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
HDAC2 Q92769 1/20 0.41
HIF1A Q16665 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
BACE1 P56817 3/20 0.40
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
CHEK2 O96017 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
PGR P06401 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NAAA Q02083 3/20 0.39
SLC9A1 P19634 1/20 0.39
PARP1 P09874 1/20 0.39
HSD17B3 P37058 1/20 0.39

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
SCHEMBL28828744 0.92 RXRA (0.39) F2HDAC2HIF1ASLC9A1
SCHEMBL28828363 0.91 CHRNB2 (0.39) HDAC2HIF1AEDNRBEDNRAHDAC4
SCHEMBL28828666 0.90 CYP11B1 (0.43) PLGPLAUPLAT
SCHEMBL28828656 0.89 RXRA (0.46) BACE1PLGPLAUPLAT
SCHEMBL29121194 0.89 F2 (0.41) F2HDAC2HIF1ABACE1PLG
SCHEMBL29228445 0.89 F2 (0.41) F2HDAC2HIF1ABACE1PLG
SCHEMBL28828614 0.88 FYN (0.40) F2HIF1ACHEK2
SCHEMBL28828550 0.88 RXRA (0.47) BACE1
SCHEMBL28828521 0.87 CHEK1 (0.46) F2CHEK2
SCHEMBL28828698 0.87 IKBKB (0.38) HDAC2HSD17B3

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