SCHEMBL28828619

SCHEMBL28828619

CC(C)(C)c1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
DHODH Q02127 1/20 0.36
KIF11 P52732 2/20 0.35
CTSA P10619 1/20 0.33
F9 P00740 2/20 0.32
ACHE P22303 3/20 0.32
SERPINE1 P05121 1/20 0.31
ASIC1 P78348 1/20 0.31
F2R P25116 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CYP26A1 O43174 1/20 0.30
CYP26B1 Q9NR63 1/20 0.30
CNR1 P21554 1/20 0.30
TDP2 O95551 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
SCHEMBL29121186 0.91 DHODH (0.39) RXRARXRBDHODHKIF11F9
SCHEMBL28828366 0.91 DHODH (0.39) RXRARXRBDHODHKIF11F9
SCHEMBL28828457 0.90 KIF11 (0.44) KIF11
SCHEMBL29228198 0.89 RXRA (0.41) RXRARXRBDHODHKIF11CTSA
SCHEMBL28828609 0.88 RXRB (0.43) RXRARXRBDHODH
SCHEMBL28828698 0.86 IKBKB (0.38) DHODHHDAC2TDP2
SCHEMBL28828487 0.86 RXRA (0.41) RXRARXRBDHODHKIF11CTSA
SCHEMBL28828403 0.85 AKR1C3 (0.34) RXRARXRBACHE
SCHEMBL28828591 0.84 F2R (0.42) F2R
SCHEMBL28828495 0.84 PGR (0.41) TDP2

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