SCHEMBL28828550

SCHEMBL28828550

CCOc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
ICMT O60725 7/20 0.43
FFAR1 O14842 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39
CTSD P07339 1/20 0.38
BACE1 P56817 1/20 0.38
MAP4K4 O95819 1/20 0.38
DHODH Q02127 1/20 0.38
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38
CTSA P10619 1/20 0.37

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
SCHEMBL28828679 0.92 SLC13A5 (0.40) RXRARXRBICMTGAASLC13A5
SCHEMBL28828590 0.91 PARP10 (0.39) RXRARXRB
SCHEMBL29121247 0.91 PARP10 (0.39) RXRARXRB
SCHEMBL28950180 0.91 NR1H4 (0.41) RXRARXRBFFAR1DHODH
SCHEMBL28828614 0.89 FYN (0.40) RXRARXRBICMTFFAR1DHODH
SCHEMBL29121232 0.89 RXRA (0.46) RXRARXRBICMTFFAR1GAA
SCHEMBL29228350 0.89 RXRA (0.46) RXRARXRBICMTFFAR1GAA
SCHEMBL28828592 0.89 NR4A2 (0.40) RXRARXRBICMTDHODHCTSA
SCHEMBL28828521 0.89 CHEK1 (0.46) RXRARXRBFFAR1DHODH
SCHEMBL28828539 0.88 F2 (0.42) BACE1

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