SCHEMBL28828622

SCHEMBL28828622

CC1(C)Cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2C1OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.41
OTUD7B Q6GQQ9 2/20 0.41
SLC6A7 Q99884 1/20 0.40
USP30 Q70CQ3 1/20 0.40
GSK3B P49841 1/20 0.40
MAPK14 Q16539 1/20 0.40
DHODH Q02127 2/20 0.39
FFAR1 O14842 2/20 0.39
RIPK1 Q13546 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
CTSA P10619 1/20 0.38
ABL1 P00519 1/20 0.38
RORC P51449 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL28828515 0.91 PPIB (0.40) BACE1DHODHABL1
SCHEMBL29228200 0.90 DHODH (0.42) BACE1OTUD7BSLC6A7USP30GSK3B
SCHEMBL28828505 0.86 KIF11 (0.44) BACE1SLC6A7
SCHEMBL29228243 0.85 DHODH (0.42) BACE1OTUD7BSLC6A7USP30DHODH
SCHEMBL28828641 0.85 PPIB (0.40) DHODHABL1
SCHEMBL28828530 0.84 F2R (0.40) BACE1
SCHEMBL28768260 0.82 BACE1 (0.42) BACE1SLC6A7GSK3BMAPK14DHODH
SCHEMBL28828684 0.82 KIF11 (0.43) DHODH
SCHEMBL28828373 0.82 PGR (0.43) BACE1SLC6A7
SCHEMBL28950173 0.81 KLKB1 (0.36)

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