SCHEMBL29228243

SCHEMBL29228243

CC1(C)CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2C1OC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.42
RIPK1 Q13546 1/20 0.41
OTUD7B Q6GQQ9 2/20 0.40
BACE1 P56817 3/20 0.40
USP30 Q70CQ3 1/20 0.39
SLC6A7 Q99884 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MCHR1 Q99705 1/20 0.38
FFAR1 O14842 1/20 0.38
SLC13A5 Q86YT5 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
SCHEMBL29228200 0.94 DHODH (0.42) DHODHRIPK1OTUD7BBACE1USP30
SCHEMBL29228295 0.92 PPIB (0.41) DHODHRIPK1HRH3
SCHEMBL29228445 0.87 F2 (0.41) DHODHBACE1
SCHEMBL29121194 0.87 F2 (0.41) DHODHBACE1
SCHEMBL29228310 0.85 PPIB (0.43) DHODHBACE1
SCHEMBL28828622 0.85 BACE1 (0.41) DHODHRIPK1OTUD7BBACE1USP30
SCHEMBL29228287 0.85 RXRA (0.44) DHODHBACE1SLC13A5
SCHEMBL29228264 0.85 KIF11 (0.43) BACE1SLC6A7
SCHEMBL29121225 0.85 RXRA (0.44) DHODHBACE1SLC13A5
SCHEMBL29228350 0.84 RXRA (0.46) DHODHFFAR1SLC13A5

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-114746422-B Derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 CN claimed
CN-114746422-A Novel derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2022-07-12 CN claimed
CN-114746422-B Derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 CN disclosed
CN-114746422-A Novel derivatives having 1,2,3, 4-tetrahydronaphthalene moiety or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2022-07-12 CN disclosed