SCHEMBL29228166

SCHEMBL29228166

CC(C)Cc1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)CC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 13/20 0.35
EPHX1 P07099 1/20 0.34
S1PR1 P21453 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SDCBP O00560 2/20 0.31
SDC2 P34741 2/20 0.31

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
SCHEMBL29121324 1.00 FFAR4 (0.35) FFAR4EPHX1S1PR1SLC6A2SLC6A4
SCHEMBL29121206 0.90 EPHX1 (0.36) FFAR4EPHX1S1PR1SLC6A2SLC6A4
SCHEMBL28828600 0.90 EPHX1 (0.36) FFAR4EPHX1S1PR1SLC6A2SLC6A4
SCHEMBL29121299 0.90 PLA2G10 (0.32) S1PR1
SCHEMBL29121223 0.89 SLC6A2 (0.33) FFAR4S1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL27200898 0.88 ITGA4 (0.35) EPHX1
SCHEMBL29228210 0.87 FFAR4 (0.35) FFAR4S1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL29121301 0.87 FFAR4 (0.35) FFAR4S1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL29121306 0.87 APP (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL29121235 0.87 FFAR4 (0.36) FFAR4

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